N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide

C14H17NO3S — CID 54926200

IUPACN-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC2)ccc1C#CCCO
InChIInChI=1S/C14H17NO3S/c1-11-10-14(19(17,18)15-13-6-7-13)8-5-12(11)4-2-3-9-16/h5,8,10,13,15-16H,3,6-7,9H2,1H3
InChIKeyKYGDXDLQYIRBKS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.17
Rot. Bonds4

About N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide

N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide (PubChem CID 54926200) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
PubChem CID54926200
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC2)ccc1C#CCCO
InChIInChI=1S/C14H17NO3S/c1-11-10-14(19(17,18)15-13-6-7-13)8-5-12(11)4-2-3-9-16/h5,8,10,13,15-16H,3,6-7,9H2,1H3
InChIKeyKYGDXDLQYIRBKS-UHFFFAOYSA-N
XLogP1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide 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

4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62410175
N-(2-ethoxyethyl)-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 60844907
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 54926202
4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550763
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
N-tert-butyl-4-(3-hydroxyprop-1-ynyl)-3-methylbenzenesulfonamide
CID 60822555
4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 60824265
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83015386
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide (CID 54926200) is N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC2)ccc1C#CCCO.
What is the InChIKey of N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide?
The InChIKey is KYGDXDLQYIRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11-10-14(19(17,18)15-13-6-7-13)8-5-12(11)4-2-3-9-16/h5,8,10,13,15-16H,3,6-7,9H2,1H3.
What are the key properties of N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide?
N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 54926200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).