2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide

C10H12ClNO2S — CID 110726799

IUPAC2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-12(8-6-7-8)15(13,14)10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3
InChIKeySDSMSJGTEVWMKN-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide

2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 110726799) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID110726799
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-12(8-6-7-8)15(13,14)10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3
InChIKeySDSMSJGTEVWMKN-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
CID 21284138
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide (CID 110726799) is 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is SDSMSJGTEVWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-12(8-6-7-8)15(13,14)10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide?
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 245.73 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 110726799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).