3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

C17H18ClNO2S — CID 39628447

IUPAC3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H18ClNO2S/c1-13-15(18)8-5-9-16(13)22(20,21)19-12-17(10-11-17)14-6-3-2-4-7-14/h2-9,19H,10-12H2,1H3
InChIKeyGHSWXIATGNKJKA-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.66
Rot. Bonds5

About 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 39628447) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
PubChem CID39628447
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H18ClNO2S/c1-13-15(18)8-5-9-16(13)22(20,21)19-12-17(10-11-17)14-6-3-2-4-7-14/h2-9,19H,10-12H2,1H3
InChIKeyGHSWXIATGNKJKA-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269295
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide
CID 97066205
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
3-chloro-N-[3-(2-chlorophenyl)prop-2-ynyl]-2-methylbenzenesulfonamide
CID 90553007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (CID 39628447) is 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is GHSWXIATGNKJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13-15(18)8-5-9-16(13)22(20,21)19-12-17(10-11-17)14-6-3-2-4-7-14/h2-9,19H,10-12H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 39628447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).