4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide

C11H16ClNO3S — CID 64913110

IUPAC4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCC(C)O
InChIInChI=1S/C11H16ClNO3S/c1-8-7-10(12)3-4-11(8)17(15,16)13-6-5-9(2)14/h3-4,7,9,13-14H,5-6H2,1-2H3
InChIKeyYGFKORUXHMJJNR-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.70
Rot. Bonds5

About 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide

4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide (PubChem CID 64913110) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
PubChem CID64913110
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCC(C)O
InChIInChI=1S/C11H16ClNO3S/c1-8-7-10(12)3-4-11(8)17(15,16)13-6-5-9(2)14/h3-4,7,9,13-14H,5-6H2,1-2H3
InChIKeyYGFKORUXHMJJNR-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 83173175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide (CID 64913110) is 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCCC(C)O.
What is the InChIKey of 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide?
The InChIKey is YGFKORUXHMJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8-7-10(12)3-4-11(8)17(15,16)13-6-5-9(2)14/h3-4,7,9,13-14H,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide?
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 64913110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).