1-amino-3-chloro-2-(sulfamoylamino)benzene

C6H8ClN3O2S — CID 114958705

IUPAC1-amino-3-chloro-2-(sulfamoylamino)benzene
SMILESNc1cccc(Cl)c1NS(N)(=O)=O
InChIInChI=1S/C6H8ClN3O2S/c7-4-2-1-3-5(8)6(4)10-13(9,11)12/h1-3,10H,8H2,(H2,9,11,12)
InChIKeyMRYYOEJNDCIAIX-UHFFFAOYSA-N
MW221.67 g/mol
LogP0.54
Rot. Bonds2

About 1-amino-3-chloro-2-(sulfamoylamino)benzene

1-amino-3-chloro-2-(sulfamoylamino)benzene (PubChem CID 114958705) has the molecular formula C6H8ClN3O2S and a molecular weight of 221.67 g/mol. Its IUPAC name is 1-amino-3-chloro-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-3-chloro-2-(sulfamoylamino)benzene
PubChem CID114958705
Molecular FormulaC6H8ClN3O2S
Molecular Weight221.67 g/mol
Exact Mass221.00
IUPAC Name1-amino-3-chloro-2-(sulfamoylamino)benzene
SMILESNc1cccc(Cl)c1NS(N)(=O)=O
InChIInChI=1S/C6H8ClN3O2S/c7-4-2-1-3-5(8)6(4)10-13(9,11)12/h1-3,10H,8H2,(H2,9,11,12)
InChIKeyMRYYOEJNDCIAIX-UHFFFAOYSA-N
XLogP0.54
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-(sulfamoylamino)benzene
CID 16648290
N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
CID 62084795
N-(2-amino-6-chlorophenyl)-1-cyclopropylmethanesulfonamide
CID 64987356
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
ethyl 2-[(2-amino-6-chlorophenyl)sulfamoyl]acetate
CID 62084091
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62084614
N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62086054
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-chloro-2-(sulfamoylamino)benzene?
The IUPAC name of 1-amino-3-chloro-2-(sulfamoylamino)benzene (CID 114958705) is 1-amino-3-chloro-2-(sulfamoylamino)benzene.
What is the SMILES notation for 1-amino-3-chloro-2-(sulfamoylamino)benzene?
The canonical SMILES for 1-amino-3-chloro-2-(sulfamoylamino)benzene is Nc1cccc(Cl)c1NS(N)(=O)=O.
What is the InChIKey of 1-amino-3-chloro-2-(sulfamoylamino)benzene?
The InChIKey is MRYYOEJNDCIAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2S/c7-4-2-1-3-5(8)6(4)10-13(9,11)12/h1-3,10H,8H2,(H2,9,11,12).
What are the key properties of 1-amino-3-chloro-2-(sulfamoylamino)benzene?
1-amino-3-chloro-2-(sulfamoylamino)benzene has a molecular weight of 221.67 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-chloro-2-(sulfamoylamino)benzene is sourced from PubChem (CID 114958705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).