N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide

C21H19Cl2NO5S — CID 68566152

IUPACN-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H19Cl2NO5S/c1-28-19-10-8-14(12-20(19)29-2)30(26,27)24-18-9-7-13(22)11-16(18)21(25)15-5-3-4-6-17(15)23/h3-12,21,24-25H,1-2H3
InChIKeySNNSPLQJRCOCRL-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.89
Rot. Bonds7

About N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide

N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 68566152) has the molecular formula C21H19Cl2NO5S and a molecular weight of 468.36 g/mol. Its IUPAC name is N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID68566152
Molecular FormulaC21H19Cl2NO5S
Molecular Weight468.36 g/mol
Exact Mass467.04
IUPAC NameN-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H19Cl2NO5S/c1-28-19-10-8-14(12-20(19)29-2)30(26,27)24-18-9-7-13(22)11-16(18)21(25)15-5-3-4-6-17(15)23/h3-12,21,24-25H,1-2H3
InChIKeySNNSPLQJRCOCRL-UHFFFAOYSA-N
XLogP4.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567259
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 9172981
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68564783
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-[4-chloro-2-[hydroxy(thiophen-2-yl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68570025
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide (CID 68566152) is N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2Cl)cc1OC.
What is the InChIKey of N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is SNNSPLQJRCOCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO5S/c1-28-19-10-8-14(12-20(19)29-2)30(26,27)24-18-9-7-13(22)11-16(18)21(25)15-5-3-4-6-17(15)23/h3-12,21,24-25H,1-2H3.
What are the key properties of N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 468.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 68566152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).