1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide

C15H19NO3S — CID 64989273

IUPAC1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(C#CCCO)ccc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C15H19NO3S/c1-12-10-13(4-2-3-9-17)7-8-15(12)16-20(18,19)11-14-5-6-14/h7-8,10,14,16-17H,3,5-6,9,11H2,1H3
InChIKeyNTVHWJMNQZFACJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.88
Rot. Bonds5

About 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide

1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide (PubChem CID 64989273) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide
PubChem CID64989273
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(C#CCCO)ccc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C15H19NO3S/c1-12-10-13(4-2-3-9-17)7-8-15(12)16-20(18,19)11-14-5-6-14/h7-8,10,14,16-17H,3,5-6,9,11H2,1H3
InChIKeyNTVHWJMNQZFACJ-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753
4-[4-(2-methoxyethylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114816406
1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
CID 64989407
4-(cyclopropylmethylsulfonylamino)-3-methylbenzoic acid
CID 64987418
methyl 2-[[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfamoyl]acetate
CID 61456844
1-cyclobutyl-3-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]urea
CID 116658735
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
CID 64987508
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyridazine-4-carboxamide
CID 104671804
4-[4-(cyclopropylmethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214585
2-ethoxy-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]ethanesulfonamide
CID 63246443
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
3-[4-(ethylsulfamoylamino)-3-methylphenyl]prop-2-yn-1-ol
CID 114811692

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide (CID 64989273) is 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide is Cc1cc(C#CCCO)ccc1NS(=O)(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide?
The InChIKey is NTVHWJMNQZFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12-10-13(4-2-3-9-17)7-8-15(12)16-20(18,19)11-14-5-6-14/h7-8,10,14,16-17H,3,5-6,9,11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide?
1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 64989273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).