N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide

C16H13ClN2O2S — CID 67893138

IUPACN-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C16H13ClN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-12-5-3-4-11(18)10-12/h1-10,19H,18H2
InChIKeyOUDVCQJQFLOMGY-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.88
Rot. Bonds3

About N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide

N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide (PubChem CID 67893138) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide
PubChem CID67893138
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C16H13ClN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-12-5-3-4-11(18)10-12/h1-10,19H,18H2
InChIKeyOUDVCQJQFLOMGY-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

N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
4-amino-2-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
CID 71378128
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide (CID 67893138) is N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide is Nc1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide?
The InChIKey is OUDVCQJQFLOMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-12-5-3-4-11(18)10-12/h1-10,19H,18H2.
What are the key properties of N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide?
N-(3-aminophenyl)-4-chloronaphthalene-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 N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 67893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).