3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C16H25NO3S — CID 79360006

IUPAC3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H25NO3S/c1-6-13(18)11-8-7-9-12(10-11)21(19,20)17-14-15(2,3)16(14,4)5/h7-10,13-14,17-18H,6H2,1-5H3
InChIKeyQWRPJXMCJRSTCJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.84
Rot. Bonds5

About 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79360006) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79360006
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H25NO3S/c1-6-13(18)11-8-7-9-12(10-11)21(19,20)17-14-15(2,3)16(14,4)5/h7-10,13-14,17-18H,6H2,1-5H3
InChIKeyQWRPJXMCJRSTCJ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 60874543
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 60874373
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 107642763
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79360006) is 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)NC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is QWRPJXMCJRSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-6-13(18)11-8-7-9-12(10-11)21(19,20)17-14-15(2,3)16(14,4)5/h7-10,13-14,17-18H,6H2,1-5H3.
What are the key properties of 3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.84, 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-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79360006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).