5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide

C16H13ClN2O2S — CID 71378128

IUPAC5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cccc12
InChIInChI=1S/C16H13ClN2O2S/c17-11-7-9-12(10-8-11)19-22(20,21)16-6-2-3-13-14(16)4-1-5-15(13)18/h1-10,19H,18H2
InChIKeyQWAMQGBJPMIHDY-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.88
Rot. Bonds3

About 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide

5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide (PubChem CID 71378128) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
PubChem CID71378128
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cccc12
InChIInChI=1S/C16H13ClN2O2S/c17-11-7-9-12(10-8-11)19-22(20,21)16-6-2-3-13-14(16)4-1-5-15(13)18/h1-10,19H,18H2
InChIKeyQWAMQGBJPMIHDY-UHFFFAOYSA-N
XLogP3.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
N-(4-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456810
N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115584203
6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
CID 1373006
N-phenylnaphthalene-1-sulfonamide
CID 3816137
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
CID 69046746

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide (CID 71378128) is 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide is Nc1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cccc12.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide?
The InChIKey is QWAMQGBJPMIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-11-7-9-12(10-8-11)19-22(20,21)16-6-2-3-13-14(16)4-1-5-15(13)18/h1-10,19H,18H2.
What are the key properties of 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide?
5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide has a molecular weight of 332.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 71378128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).