1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide

C11H16ClNO2S — CID 140936519

IUPAC1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NC(C)C)c(Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-8(2)13-16(14,15)7-10-5-4-9(3)6-11(10)12/h4-6,8,13H,7H2,1-3H3
InChIKeyIJBMCSIDMNSEBY-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide

1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 140936519) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
PubChem CID140936519
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NC(C)C)c(Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-8(2)13-16(14,15)7-10-5-4-9(3)6-11(10)12/h4-6,8,13H,7H2,1-3H3
InChIKeyIJBMCSIDMNSEBY-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylphenyl)methylsulfonyl]propan-1-amine
CID 106871026
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
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1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119122181
1-(2-fluoro-4-methylphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]methanesulfonamide
CID 99837019
4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
CID 106869681
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 17416351
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 106866902
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 106863106

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide (CID 140936519) is 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide is Cc1ccc(CS(=O)(=O)NC(C)C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is IJBMCSIDMNSEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-8(2)13-16(14,15)7-10-5-4-9(3)6-11(10)12/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide?
1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 140936519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).