4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide

C18H22ClNO4S — CID 22774048

IUPAC4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C18H22ClNO4S/c1-4-5-6-13-7-9-14(10-8-13)25(21,22)20-16-12-17(23-2)15(19)11-18(16)24-3/h7-12,20H,4-6H2,1-3H3
InChIKeyYEDVTMCXSAURKN-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.50
Rot. Bonds8

About 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide

4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide (PubChem CID 22774048) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
PubChem CID22774048
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC Name4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C18H22ClNO4S/c1-4-5-6-13-7-9-14(10-8-13)25(21,22)20-16-12-17(23-2)15(19)11-18(16)24-3/h7-12,20H,4-6H2,1-3H3
InChIKeyYEDVTMCXSAURKN-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22774049
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide (CID 22774048) is 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is YEDVTMCXSAURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-4-5-6-13-7-9-14(10-8-13)25(21,22)20-16-12-17(23-2)15(19)11-18(16)24-3/h7-12,20H,4-6H2,1-3H3.
What are the key properties of 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 22774048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).