4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol

C14H18N2O3S — CID 114811799

IUPAC4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
SMILESO=S(=O)(NCc1ccc(C#CCCO)cc1)NC1CC1
InChIInChI=1S/C14H18N2O3S/c17-10-2-1-3-12-4-6-13(7-5-12)11-15-20(18,19)16-14-8-9-14/h4-7,14-17H,2,8-11H2
InChIKeyWILMKGXFDHOVEP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.51
Rot. Bonds6

About 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol

4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol (PubChem CID 114811799) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
PubChem CID114811799
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
SMILESO=S(=O)(NCc1ccc(C#CCCO)cc1)NC1CC1
InChIInChI=1S/C14H18N2O3S/c17-10-2-1-3-12-4-6-13(7-5-12)11-15-20(18,19)16-14-8-9-14/h4-7,14-17H,2,8-11H2
InChIKeyWILMKGXFDHOVEP-UHFFFAOYSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
CID 64989407
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
CID 105361505
4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753
4-[(cyclopropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813447
4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550763
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60824580
3-[4-[1-(cyclopropylsulfamoylamino)ethyl]phenyl]prop-2-yn-1-ol
CID 114811831
3-[4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]phenyl]prop-2-yn-1-ol
CID 114811778
2-[4-(cyclopropylsulfamoylamino)phenyl]ethanol
CID 114809379
1-ethyl-3-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]urea
CID 54966584
4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol
CID 114811712

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol (CID 114811799) is 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol is O=S(=O)(NCc1ccc(C#CCCO)cc1)NC1CC1.
What is the InChIKey of 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol?
The InChIKey is WILMKGXFDHOVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-10-2-1-3-12-4-6-13(7-5-12)11-15-20(18,19)16-14-8-9-14/h4-7,14-17H,2,8-11H2.
What are the key properties of 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol?
4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol has a molecular weight of 294.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 114811799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).