N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide

C26H18Br2N2O4S2 — CID 139947697

IUPACN-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Br)c(Br)cc1NS(=O)(=O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H18Br2N2O4S2/c27-21-15-23(29-35(31,32)25-13-5-9-17-7-1-3-11-19(17)25)24(16-22(21)28)30-36(33,34)26-14-6-10-18-8-2-4-12-20(18)26/h1-16,29-30H
InChIKeyDVVZWCTVGLYBKS-UHFFFAOYSA-N
MW646.38 g/mol
LogP7.12
Rot. Bonds6

About N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide

N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide (PubChem CID 139947697) has the molecular formula C26H18Br2N2O4S2 and a molecular weight of 646.38 g/mol. Its IUPAC name is N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
PubChem CID139947697
Molecular FormulaC26H18Br2N2O4S2
Molecular Weight646.38 g/mol
Exact Mass643.91
IUPAC NameN-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Br)c(Br)cc1NS(=O)(=O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H18Br2N2O4S2/c27-21-15-23(29-35(31,32)25-13-5-9-17-7-1-3-11-19(17)25)24(16-22(21)28)30-36(33,34)26-14-6-10-18-8-2-4-12-20(18)26/h1-16,29-30H
InChIKeyDVVZWCTVGLYBKS-UHFFFAOYSA-N
XLogP7.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.38
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
CID 16759550
N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
CID 87538260
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
CID 22888906
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-[2-[2-(naphthalen-1-ylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691994

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide (CID 139947697) is N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1cc(Br)c(Br)cc1NS(=O)(=O)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The InChIKey is DVVZWCTVGLYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2N2O4S2/c27-21-15-23(29-35(31,32)25-13-5-9-17-7-1-3-11-19(17)25)24(16-22(21)28)30-36(33,34)26-14-6-10-18-8-2-4-12-20(18)26/h1-16,29-30H.
What are the key properties of N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide has a molecular weight of 646.38 g/mol, XLogP of 7.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 139947697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).