N-butyl-2-chloro-4-methoxybenzenesulfonamide

C11H16ClNO3S — CID 110758761

IUPACN-butyl-2-chloro-4-methoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-3-4-7-13-17(14,15)11-6-5-9(16-2)8-10(11)12/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCOECGAOXYDBNHO-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.43
Rot. Bonds6

About N-butyl-2-chloro-4-methoxybenzenesulfonamide

N-butyl-2-chloro-4-methoxybenzenesulfonamide (PubChem CID 110758761) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-butyl-2-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-chloro-4-methoxybenzenesulfonamide
PubChem CID110758761
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-butyl-2-chloro-4-methoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-3-4-7-13-17(14,15)11-6-5-9(16-2)8-10(11)12/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCOECGAOXYDBNHO-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
N-butyl-2-chloro-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60823053
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
N-(4-aminobutyl)-2-bromo-4-methoxybenzenesulfonamide
CID 120713433
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-(2-butoxyethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989243
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-butyl-2-chloro-4-methoxybenzenesulfonamide (CID 110758761) is N-butyl-2-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-butyl-2-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-butyl-2-chloro-4-methoxybenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(OC)cc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-methoxybenzenesulfonamide?
The InChIKey is COECGAOXYDBNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-3-4-7-13-17(14,15)11-6-5-9(16-2)8-10(11)12/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-2-chloro-4-methoxybenzenesulfonamide?
N-butyl-2-chloro-4-methoxybenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).