4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide

C22H29NO2S — CID 172759953

IUPAC4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(C(C)c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C22H29NO2S/c1-18-11-13-21(14-12-18)26(24,25)23-17-22(15-7-4-8-16-22)19(2)20-9-5-3-6-10-20/h3,5-6,9-14,19,23H,4,7-8,15-17H2,1-2H3
InChIKeyLNVLDQPNCQJCJK-UHFFFAOYSA-N
MW371.55 g/mol
LogP5.03
Rot. Bonds6

About 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide

4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 172759953) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID172759953
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(C(C)c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C22H29NO2S/c1-18-11-13-21(14-12-18)26(24,25)23-17-22(15-7-4-8-16-22)19(2)20-9-5-3-6-10-20/h3,5-6,9-14,19,23H,4,7-8,15-17H2,1-2H3
InChIKeyLNVLDQPNCQJCJK-UHFFFAOYSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
CID 139200596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide (CID 172759953) is 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(C(C)c3ccccc3)CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is LNVLDQPNCQJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-18-11-13-21(14-12-18)26(24,25)23-17-22(15-7-4-8-16-22)19(2)20-9-5-3-6-10-20/h3,5-6,9-14,19,23H,4,7-8,15-17H2,1-2H3.
What are the key properties of 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide?
4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 371.55 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 172759953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).