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

C18H22ClNO4S — CID 22774049

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H22ClNO4S/c1-12(2)9-13-5-7-14(8-6-13)25(21,22)20-16-11-17(23-3)15(19)10-18(16)24-4/h5-8,10-12,20H,9H2,1-4H3
InChIKeyYLSTZVFJEGZDQS-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.36
Rot. Bonds7

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22774049) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22774049
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H22ClNO4S/c1-12(2)9-13-5-7-14(8-6-13)25(21,22)20-16-11-17(23-3)15(19)10-18(16)24-4/h5-8,10-12,20H,9H2,1-4H3
InChIKeyYLSTZVFJEGZDQS-UHFFFAOYSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 22774048
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
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-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide (CID 22774049) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YLSTZVFJEGZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-12(2)9-13-5-7-14(8-6-13)25(21,22)20-16-11-17(23-3)15(19)10-18(16)24-4/h5-8,10-12,20H,9H2,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22774049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).