3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide

C13H20ClNO3S — CID 103918364

IUPAC3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H20ClNO3S/c1-11-12(14)7-6-8-13(11)19(17,18)15-9-4-2-3-5-10-16/h6-8,15-16H,2-5,9-10H2,1H3
InChIKeyNRSZSGSHMQICNN-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.48
Rot. Bonds8

About 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide

3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide (PubChem CID 103918364) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
PubChem CID103918364
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H20ClNO3S/c1-11-12(14)7-6-8-13(11)19(17,18)15-9-4-2-3-5-10-16/h6-8,15-16H,2-5,9-10H2,1H3
InChIKeyNRSZSGSHMQICNN-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 21110298
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide (CID 103918364) is 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCCCCCO.
What is the InChIKey of 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The InChIKey is NRSZSGSHMQICNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-11-12(14)7-6-8-13(11)19(17,18)15-9-4-2-3-5-10-16/h6-8,15-16H,2-5,9-10H2,1H3.
What are the key properties of 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103918364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).