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

C7H9ClN2O2S — CID 107638348

IUPAC1-chloro-4-methyl-2-(sulfamoylamino)benzene
SMILESCc1ccc(Cl)c(NS(N)(=O)=O)c1
InChIInChI=1S/C7H9ClN2O2S/c1-5-2-3-6(8)7(4-5)10-13(9,11)12/h2-4,10H,1H3,(H2,9,11,12)
InChIKeySAIACZZSRHXMLA-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.26
Rot. Bonds2

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

1-chloro-4-methyl-2-(sulfamoylamino)benzene (PubChem CID 107638348) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-(sulfamoylamino)benzene
PubChem CID107638348
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name1-chloro-4-methyl-2-(sulfamoylamino)benzene
SMILESCc1ccc(Cl)c(NS(N)(=O)=O)c1
InChIInChI=1S/C7H9ClN2O2S/c1-5-2-3-6(8)7(4-5)10-13(9,11)12/h2-4,10H,1H3,(H2,9,11,12)
InChIKeySAIACZZSRHXMLA-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
4-chloro-3-(sulfamoylamino)benzamide
CID 112573335
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
CID 107625962
4-chloro-3-(sulfamoylamino)benzenecarbothioamide
CID 114959203
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-(sulfamoylamino)benzene?
The IUPAC name of 1-chloro-4-methyl-2-(sulfamoylamino)benzene (CID 107638348) is 1-chloro-4-methyl-2-(sulfamoylamino)benzene.
What is the SMILES notation for 1-chloro-4-methyl-2-(sulfamoylamino)benzene?
The canonical SMILES for 1-chloro-4-methyl-2-(sulfamoylamino)benzene is Cc1ccc(Cl)c(NS(N)(=O)=O)c1.
What is the InChIKey of 1-chloro-4-methyl-2-(sulfamoylamino)benzene?
The InChIKey is SAIACZZSRHXMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-5-2-3-6(8)7(4-5)10-13(9,11)12/h2-4,10H,1H3,(H2,9,11,12).
What are the key properties of 1-chloro-4-methyl-2-(sulfamoylamino)benzene?
1-chloro-4-methyl-2-(sulfamoylamino)benzene has a molecular weight of 220.68 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-(sulfamoylamino)benzene is sourced from PubChem (CID 107638348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).