2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide

C15H18ClNO3S — CID 60824580

IUPAC2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(C#CCCO)cc1Cl
InChIInChI=1S/C15H18ClNO3S/c16-14-11-12(5-3-4-10-18)8-9-15(14)21(19,20)17-13-6-1-2-7-13/h8-9,11,13,17-18H,1-2,4,6-7,10H2
InChIKeyWAVGCDDPWSTXAB-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide

2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide (PubChem CID 60824580) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
PubChem CID60824580
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(C#CCCO)cc1Cl
InChIInChI=1S/C15H18ClNO3S/c16-14-11-12(5-3-4-10-18)8-9-15(14)21(19,20)17-13-6-1-2-7-13/h8-9,11,13,17-18H,1-2,4,6-7,10H2
InChIKeyWAVGCDDPWSTXAB-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.29
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

N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550771
4-(3-aminoprop-1-ynyl)-2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 60843632
N-butyl-2-chloro-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60823053
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 54926202
2-chloro-4-(4-hydroxybut-1-ynyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 60823191
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)benzenesulfonamide
CID 54926247
4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753
4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
CID 114811799
2-chloro-4-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115986925
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide (CID 60824580) is 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide is O=S(=O)(NC1CCCC1)c1ccc(C#CCCO)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The InChIKey is WAVGCDDPWSTXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c16-14-11-12(5-3-4-10-18)8-9-15(14)21(19,20)17-13-6-1-2-7-13/h8-9,11,13,17-18H,1-2,4,6-7,10H2.
What are the key properties of 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide?
2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide has a molecular weight of 327.83 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 60824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).