2-(2-hydroxypentyl)benzenesulfonamide

C11H17NO3S — CID 63201594

IUPAC2-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-2-5-10(13)8-9-6-3-4-7-11(9)16(12,14)15/h3-4,6-7,10,13H,2,5,8H2,1H3,(H2,12,14,15)
InChIKeyCRWSTQSTHOIFHF-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.04
Rot. Bonds5

About 2-(2-hydroxypentyl)benzenesulfonamide

2-(2-hydroxypentyl)benzenesulfonamide (PubChem CID 63201594) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxypentyl)benzenesulfonamide
PubChem CID63201594
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-2-5-10(13)8-9-6-3-4-7-11(9)16(12,14)15/h3-4,6-7,10,13H,2,5,8H2,1H3,(H2,12,14,15)
InChIKeyCRWSTQSTHOIFHF-UHFFFAOYSA-N
XLogP1.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
4-(2-hydroxypentyl)benzenesulfonamide
CID 63201232
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
2-nonylbenzenesulfonamide
CID 70447042
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
1-(2-bromopentyl)-2-(difluoromethylsulfonyl)benzene
CID 55220091
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
CID 162446270

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2-(2-hydroxypentyl)benzenesulfonamide (CID 63201594) is 2-(2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2-(2-hydroxypentyl)benzenesulfonamide is CCCC(O)Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-hydroxypentyl)benzenesulfonamide?
The InChIKey is CRWSTQSTHOIFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-5-10(13)8-9-6-3-4-7-11(9)16(12,14)15/h3-4,6-7,10,13H,2,5,8H2,1H3,(H2,12,14,15).
What are the key properties of 2-(2-hydroxypentyl)benzenesulfonamide?
2-(2-hydroxypentyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 63201594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).