5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide

C13H11ClN4O2S — CID 107807019

IUPAC5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
SMILESN#Cc1ccc(Nc2ccc(N)cc2S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H11ClN4O2S/c14-10-5-8(7-15)1-3-11(10)18-12-4-2-9(16)6-13(12)21(17,19)20/h1-6,18H,16H2,(H2,17,19,20)
InChIKeyWULVXRHXXZUMNG-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.18
Rot. Bonds3

About 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide

5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide (PubChem CID 107807019) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
PubChem CID107807019
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
SMILESN#Cc1ccc(Nc2ccc(N)cc2S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H11ClN4O2S/c14-10-5-8(7-15)1-3-11(10)18-12-4-2-9(16)6-13(12)21(17,19)20/h1-6,18H,16H2,(H2,17,19,20)
InChIKeyWULVXRHXXZUMNG-UHFFFAOYSA-N
XLogP2.18
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-bromo-2-cyanoanilino)benzenesulfonamide
CID 82692015
5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
5-amino-2-(2-cyano-3-methylanilino)benzenesulfonamide
CID 107802604
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
3-amino-4-(2-chloro-4-cyanoanilino)benzoic acid
CID 107809752
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
4-(2-bromo-4-fluoroanilino)-3-chlorobenzonitrile
CID 63510761
5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide
CID 107363655
3-chloro-4-(3,5-dichloroanilino)benzonitrile
CID 63509890

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide (CID 107807019) is 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide is N#Cc1ccc(Nc2ccc(N)cc2S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide?
The InChIKey is WULVXRHXXZUMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c14-10-5-8(7-15)1-3-11(10)18-12-4-2-9(16)6-13(12)21(17,19)20/h1-6,18H,16H2,(H2,17,19,20).
What are the key properties of 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide?
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide is sourced from PubChem (CID 107807019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).