N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide

C20H23N3O2S — CID 102078919

IUPACN-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C20H23N3O2S/c1-14(21)15-10-12-16(13-11-15)22-26(24,25)20-9-5-6-17-18(20)7-4-8-19(17)23(2)3/h4-14,22H,21H2,1-3H3
InChIKeyFAIXCJFRSSGTSL-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.73
Rot. Bonds5

About N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 102078919) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID102078919
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C20H23N3O2S/c1-14(21)15-10-12-16(13-11-15)22-26(24,25)20-9-5-6-17-18(20)7-4-8-19(17)23(2)3/h4-14,22H,21H2,1-3H3
InChIKeyFAIXCJFRSSGTSL-UHFFFAOYSA-N
XLogP3.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 4658708
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 59900335
5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
CID 3271732
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10259280
N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142053492
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
CID 57189636
CID 57189636

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide (CID 102078919) is N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide is CC(N)c1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is FAIXCJFRSSGTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14(21)15-10-12-16(13-11-15)22-26(24,25)20-9-5-6-17-18(20)7-4-8-19(17)23(2)3/h4-14,22H,21H2,1-3H3.
What are the key properties of N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 102078919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).