4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C12H17ClN2O2S — CID 55084488

IUPAC4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC1CCCN1
InChIInChI=1S/C12H17ClN2O2S/c1-9-7-10(13)4-5-12(9)18(16,17)15-8-11-3-2-6-14-11/h4-5,7,11,14-15H,2-3,6,8H2,1H3
InChIKeyBRWAFORGLFAFEN-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.68
Rot. Bonds4

About 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 55084488) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID55084488
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC1CCCN1
InChIInChI=1S/C12H17ClN2O2S/c1-9-7-10(13)4-5-12(9)18(16,17)15-8-11-3-2-6-14-11/h4-5,7,11,14-15H,2-3,6,8H2,1H3
InChIKeyBRWAFORGLFAFEN-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
2,5-dibromo-4-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 81326902
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 55084488) is 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCC1CCCN1.
What is the InChIKey of 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BRWAFORGLFAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9-7-10(13)4-5-12(9)18(16,17)15-8-11-3-2-6-14-11/h4-5,7,11,14-15H,2-3,6,8H2,1H3.
What are the key properties of 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55084488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).