4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene

C9H13ClN2O2S — CID 4635582

IUPAC4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
SMILESCc1ccc(Cl)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H13ClN2O2S/c1-7-4-5-8(10)6-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyTTZRAZYYSKVQRA-UHFFFAOYSA-N
MW248.74 g/mol
LogP1.87
Rot. Bonds3

About 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene

4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene (PubChem CID 4635582) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
PubChem CID4635582
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.74 g/mol
Exact Mass248.04
IUPAC Name4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
SMILESCc1ccc(Cl)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H13ClN2O2S/c1-7-4-5-8(10)6-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyTTZRAZYYSKVQRA-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
CID 28787801
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106031151
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343380
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113050806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene?
The IUPAC name of 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene (CID 4635582) is 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene?
The canonical SMILES for 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene is Cc1ccc(Cl)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene?
The InChIKey is TTZRAZYYSKVQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-7-4-5-8(10)6-9(7)11-15(13,14)12(2)3/h4-6,11H,1-3H3.
What are the key properties of 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene?
4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene has a molecular weight of 248.74 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene is sourced from PubChem (CID 4635582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).