3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

C16H25NO3S — CID 60874374

IUPAC3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C16H25NO3S/c1-3-16(18)13-5-4-6-15(11-13)21(19,20)17-14-9-7-12(2)8-10-14/h4-6,11-12,14,16-18H,3,7-10H2,1-2H3
InChIKeyOJOSTPBVNFEAPM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.99
Rot. Bonds5

About 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 60874374) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID60874374
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C16H25NO3S/c1-3-16(18)13-5-4-6-15(11-13)21(19,20)17-14-9-7-12(2)8-10-14/h4-6,11-12,14,16-18H,3,7-10H2,1-2H3
InChIKeyOJOSTPBVNFEAPM-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
CID 67130398
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 60874373
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (CID 60874374) is 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)NC2CCC(C)CC2)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is OJOSTPBVNFEAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-16(18)13-5-4-6-15(11-13)21(19,20)17-14-9-7-12(2)8-10-14/h4-6,11-12,14,16-18H,3,7-10H2,1-2H3.
What are the key properties of 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 60874374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).