1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene

C7H10ClN3O2S — CID 114958746

IUPAC1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
SMILESCc1cc(N)c(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C7H10ClN3O2S/c1-4-2-6(9)5(8)3-7(4)11-14(10,12)13/h2-3,11H,9H2,1H3,(H2,10,12,13)
InChIKeyKPZUOWGNMDGYOV-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.85
Rot. Bonds2

About 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene

1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene (PubChem CID 114958746) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
PubChem CID114958746
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
SMILESCc1cc(N)c(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C7H10ClN3O2S/c1-4-2-6(9)5(8)3-7(4)11-14(10,12)13/h2-3,11H,9H2,1H3,(H2,10,12,13)
InChIKeyKPZUOWGNMDGYOV-UHFFFAOYSA-N
XLogP0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.85
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-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
CID 114958706
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
CID 113438985
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene
CID 104668379
N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 104667663
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
ethyl 3-[(4-amino-5-chloro-2-methylphenyl)sulfamoyl]propanoate
CID 104667743
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
CID 22719137
N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
CID 104667456

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene?
The IUPAC name of 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene (CID 114958746) is 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene is Cc1cc(N)c(Cl)cc1NS(N)(=O)=O.
What is the InChIKey of 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene?
The InChIKey is KPZUOWGNMDGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-4-2-6(9)5(8)3-7(4)11-14(10,12)13/h2-3,11H,9H2,1H3,(H2,10,12,13).
What are the key properties of 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene?
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene has a molecular weight of 235.70 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene is sourced from PubChem (CID 114958746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).