N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide

C14H14ClNO4S — CID 3236356

IUPACN-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C14H14ClNO4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3
InChIKeyLQZYZHJHIKBCSI-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.16
Rot. Bonds5

About N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide

N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 3236356) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID3236356
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC NameN-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C14H14ClNO4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3
InChIKeyLQZYZHJHIKBCSI-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2'-methoxybenzenesulfonanilide
CID 310128
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 770818
N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1004366
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 768965
N-(2-ethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 768993
3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 778398
3-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 889795
N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1141973
N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 1294812
3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
CID 2227762

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide (CID 3236356) is N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is LQZYZHJHIKBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3236356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).