5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide

C118H148N22O16S8 — CID 101495653

IUPAC5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCN(CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCN(CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)cccc12
InChIInChI=1S/C118H148N22O16S8/c119-103-45-1-37-95-87(103)29-9-53-111(95)157(141,142)127-61-17-69-135(70-18-62-128-158(143,144)112-54-10-30-88-96(112)38-2-46-104(88)120)77-25-81-139(82-26-78-136(71-19-63-129-159(145,146)113-55-11-31-89-97(113)39-3-47-105(89)121)72-20-64-130-160(147,148)114-56-12-32-90-98(114)40-4-48-106(90)122)85-86-140(83-27-79-137(73-21-65-131-161(149,150)115-57-13-33-91-99(115)41-5-49-107(91)123)74-22-66-132-162(151,152)116-58-14-34-92-100(116)42-6-50-108(92)124)84-28-80-138(75-23-67-133-163(153,154)117-59-15-35-93-101(117)43-7-51-109(93)125)76-24-68-134-164(155,156)118-60-16-36-94-102(118)44-8-52-110(94)126/h1-16,29-60,127-134H,17-28,61-86,119-126H2
InChIKeyYAVWTEYYTDFXFG-UHFFFAOYSA-N
MW2387.16 g/mol
LogP13.19
Rot. Bonds67

About 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide

5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide (PubChem CID 101495653) has the molecular formula C118H148N22O16S8 and a molecular weight of 2387.16 g/mol. Its IUPAC name is 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
PubChem CID101495653
Molecular FormulaC118H148N22O16S8
Molecular Weight2387.16 g/mol
Exact Mass2384.92
IUPAC Name5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCN(CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCN(CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)cccc12
InChIInChI=1S/C118H148N22O16S8/c119-103-45-1-37-95-87(103)29-9-53-111(95)157(141,142)127-61-17-69-135(70-18-62-128-158(143,144)112-54-10-30-88-96(112)38-2-46-104(88)120)77-25-81-139(82-26-78-136(71-19-63-129-159(145,146)113-55-11-31-89-97(113)39-3-47-105(89)121)72-20-64-130-160(147,148)114-56-12-32-90-98(114)40-4-48-106(90)122)85-86-140(83-27-79-137(73-21-65-131-161(149,150)115-57-13-33-91-99(115)41-5-49-107(91)123)74-22-66-132-162(151,152)116-58-14-34-92-100(116)42-6-50-108(92)124)84-28-80-138(75-23-67-133-163(153,154)117-59-15-35-93-101(117)43-7-51-109(93)125)76-24-68-134-164(155,156)118-60-16-36-94-102(118)44-8-52-110(94)126/h1-16,29-60,127-134H,17-28,61-86,119-126H2
InChIKeyYAVWTEYYTDFXFG-UHFFFAOYSA-N
XLogP13.19
TPSA596.96 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds67
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002387.16
LogP ≤ 513.19
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide with MolForge

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Related Compounds

5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 15680796
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
CID 69046746
4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide
CID 170254747
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide (CID 101495653) is 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide is Nc1cccc2c(S(=O)(=O)NCCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCN(CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCN(CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCN(CCCNS(=O)(=O)c3cccc4c(N)cccc34)CCCNS(=O)(=O)c3cccc4c(N)cccc34)cccc12.
What is the InChIKey of 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide?
The InChIKey is YAVWTEYYTDFXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H148N22O16S8/c119-103-45-1-37-95-87(103)29-9-53-111(95)157(141,142)127-61-17-69-135(70-18-62-128-158(143,144)112-54-10-30-88-96(112)38-2-46-104(88)120)77-25-81-139(82-26-78-136(71-19-63-129-159(145,146)113-55-11-31-89-97(113)39-3-47-105(89)121)72-20-64-130-160(147,148)114-56-12-32-90-98(114)40-4-48-106(90)122)85-86-140(83-27-79-137(73-21-65-131-161(149,150)115-57-13-33-91-99(115)41-5-49-107(91)123)74-22-66-132-162(151,152)116-58-14-34-92-100(116)42-6-50-108(92)124)84-28-80-138(75-23-67-133-163(153,154)117-59-15-35-93-101(117)43-7-51-109(93)125)76-24-68-134-164(155,156)118-60-16-36-94-102(118)44-8-52-110(94)126/h1-16,29-60,127-134H,17-28,61-86,119-126H2.
What are the key properties of 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide?
5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide has a molecular weight of 2387.16 g/mol, XLogP of 13.19, 67 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 101495653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).