N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide

C16H18ClNO6S — CID 991754

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C16H18ClNO6S/c1-21-10-5-6-13(22-2)16(7-10)25(19,20)18-12-9-14(23-3)11(17)8-15(12)24-4/h5-9,18H,1-4H3
InChIKeyUKCZYLVLWMRZNO-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.18
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 991754) has the molecular formula C16H18ClNO6S and a molecular weight of 387.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID991754
Molecular FormulaC16H18ClNO6S
Molecular Weight387.84 g/mol
Exact Mass387.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C16H18ClNO6S/c1-21-10-5-6-13(22-2)16(7-10)25(19,20)18-12-9-14(23-3)11(17)8-15(12)24-4/h5-9,18H,1-4H3
InChIKeyUKCZYLVLWMRZNO-UHFFFAOYSA-N
XLogP3.18
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 104143
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide
CID 991743
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 100446911
N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide
CID 2242822
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 707400
N-(2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
CID 1295477
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
CID 3113409
N-(4-chloro-2,5-dimethoxyphenyl)-4-nitrobenzenesulfonamide
CID 1047672
N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 1287957
N-(4-chloro-2,5-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 1289166
N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 743380
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
CID 4820046

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide (CID 991754) is N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is UKCZYLVLWMRZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO6S/c1-21-10-5-6-13(22-2)16(7-10)25(19,20)18-12-9-14(23-3)11(17)8-15(12)24-4/h5-9,18H,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 387.84 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 991754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).