2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid

C17H12ClNO4S — CID 10044144

IUPAC2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C17H12ClNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h1-10,19H,(H,20,21)
InChIKeyXDLPOXNXGRRODJ-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.99
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid

2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid (PubChem CID 10044144) has the molecular formula C17H12ClNO4S and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
PubChem CID10044144
Molecular FormulaC17H12ClNO4S
Molecular Weight361.81 g/mol
Exact Mass361.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C17H12ClNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h1-10,19H,(H,20,21)
InChIKeyXDLPOXNXGRRODJ-UHFFFAOYSA-N
XLogP3.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
CID 68864170
2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68687615
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 1309516
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)naphthalene-1-carboxylic acid
CID 10000157
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
CID 156767618
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135683070
2-[[2-(2-propan-2-yloxyethylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
CID 68864527
4-[2-[2-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68690715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid (CID 10044144) is 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
The InChIKey is XDLPOXNXGRRODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h1-10,19H,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid?
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid has a molecular weight of 361.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 10044144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).