4-amino-2-chlorobenzenesulfonamide

C6H7ClN2O2S — CID 12533522

IUPAC4-amino-2-chlorobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C6H7ClN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyNIDOTDANGJJHPU-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.57
Rot. Bonds1

About 4-amino-2-chlorobenzenesulfonamide

4-amino-2-chlorobenzenesulfonamide (PubChem CID 12533522) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 4-amino-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chlorobenzenesulfonamide
PubChem CID12533522
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name4-amino-2-chlorobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C6H7ClN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyNIDOTDANGJJHPU-UHFFFAOYSA-N
XLogP0.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.57
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

3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
3-chloro-4-sulfamoylbenzoic acid
CID 47003139
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
5-amino-3-chloro-2-methylbenzenesulfonamide
CID 68873212
3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline
CID 141374502
3-chloro-4-(2-propoxyethylsulfonyl)aniline
CID 106460007
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
3-chloro-4-(3-ethylsulfonylpropylsulfonyl)aniline
CID 81182563
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
2-(5-amino-2-chlorophenyl)-4-bromo-3-fluorobenzenesulfonamide
CID 69134797

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chlorobenzenesulfonamide?
The IUPAC name of 4-amino-2-chlorobenzenesulfonamide (CID 12533522) is 4-amino-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-amino-2-chlorobenzenesulfonamide is Nc1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 4-amino-2-chlorobenzenesulfonamide?
The InChIKey is NIDOTDANGJJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 4-amino-2-chlorobenzenesulfonamide?
4-amino-2-chlorobenzenesulfonamide has a molecular weight of 206.65 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chlorobenzenesulfonamide is sourced from PubChem (CID 12533522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).