5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide

C15H24ClNO3S — CID 82878621

IUPAC5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C15H24ClNO3S/c1-11(2)6-4-5-7-17-21(19,20)15-9-14(16)8-13(10-18)12(15)3/h8-9,11,17-18H,4-7,10H2,1-3H3
InChIKeyIWFFNZGIZSDTEN-UHFFFAOYSA-N
MW333.88 g/mol
LogP3.25
Rot. Bonds8

About 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide

5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 82878621) has the molecular formula C15H24ClNO3S and a molecular weight of 333.88 g/mol. Its IUPAC name is 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide
PubChem CID82878621
Molecular FormulaC15H24ClNO3S
Molecular Weight333.88 g/mol
Exact Mass333.12
IUPAC Name5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C15H24ClNO3S/c1-11(2)6-4-5-7-17-21(19,20)15-9-14(16)8-13(10-18)12(15)3/h8-9,11,17-18H,4-7,10H2,1-3H3
InChIKeyIWFFNZGIZSDTEN-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 53.25
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

N-butyl-5-chloro-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891312
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
5-chloro-3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295804
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82878613
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509
5-chloro-2-fluoro-3-(4-methylpentylsulfamoyl)benzoic acid
CID 61044021
5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 82890856
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide (CID 82878621) is 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide is Cc1c(CO)cc(Cl)cc1S(=O)(=O)NCCCCC(C)C.
What is the InChIKey of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is IWFFNZGIZSDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3S/c1-11(2)6-4-5-7-17-21(19,20)15-9-14(16)8-13(10-18)12(15)3/h8-9,11,17-18H,4-7,10H2,1-3H3.
What are the key properties of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide?
5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 333.88 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 82878621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).