4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide

C18H29NO3S — CID 56941568

IUPAC4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(CCO)CC2)cc1
InChIInChI=1S/C18H29NO3S/c1-18(2,3)15-6-10-17(11-7-15)23(21,22)19-16-8-4-14(5-9-16)12-13-20/h6-7,10-11,14,16,19-20H,4-5,8-9,12-13H2,1-3H3
InChIKeyURVDPYXEJIRGRP-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.20
Rot. Bonds5

About 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide

4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide (PubChem CID 56941568) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide
PubChem CID56941568
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC Name4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(CCO)CC2)cc1
InChIInChI=1S/C18H29NO3S/c1-18(2,3)15-6-10-17(11-7-15)23(21,22)19-16-8-4-14(5-9-16)12-13-20/h6-7,10-11,14,16,19-20H,4-5,8-9,12-13H2,1-3H3
InChIKeyURVDPYXEJIRGRP-UHFFFAOYSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
4-methyl-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide
CID 753532
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-2'-iodo-
CID 11597188
[1,1'-Biphenyl]-4-sulfonamide, 4'-fluoro-N-(4-hydroxybutyl)-
CID 11602239
[1,1'-Biphenyl]-4-sulfonamide, 2',4'-difluoro-N-(5-hydroxypentyl)-
CID 11631752
N-(4-Hydroxybutyl)[1,1'-biphenyl]-4-sulfonamide
CID 16094717
N-(2-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 3854365
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
[1,1'-Biphenyl]-4-sulfonamide, N-(5-hydroxypentyl)-4'-methyl-
CID 11508246
[1,1'-Biphenyl]-4-sulfonamide, N-(5-hydroxypentyl)-
CID 11609430
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-3'-methyl-
CID 11609431

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide (CID 56941568) is 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCC(CCO)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is URVDPYXEJIRGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-18(2,3)15-6-10-17(11-7-15)23(21,22)19-16-8-4-14(5-9-16)12-13-20/h6-7,10-11,14,16,19-20H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide?
4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 339.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 56941568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).