4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

C12H10ClN3O4S — CID 43348560

IUPAC4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H,14H2
InChIKeyKHCKUQLONDAHON-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide (PubChem CID 43348560) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
PubChem CID43348560
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H,14H2
InChIKeyKHCKUQLONDAHON-UHFFFAOYSA-N
XLogP2.63
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
N-(4-amino-3-nitrophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 47516585
N-(4-amino-3-nitrophenyl)-4-bromobenzenesulfonamide
CID 27993401
4-amino-3-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540317
4-chloro-2-nitroaniline
CID 6979
N-(4-amino-3-nitrophenyl)-4-methoxybenzenesulfonamide
CID 27993402
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
4-amino-N-(2-bromophenyl)-3-nitrobenzenesulfonamide
CID 43348562
[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide
CID 57276370
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
4-(4-chlorophenyl)-2-nitroaniline
CID 10776983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide (CID 43348560) is 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The InChIKey is KHCKUQLONDAHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H,14H2.
What are the key properties of 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide has a molecular weight of 327.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43348560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).