N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide

C21H20ClNO4S — CID 46021764

IUPACN-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H20ClNO4S/c1-26-20-13-10-18(14-21(20)27-2)23(15-16-6-4-3-5-7-16)28(24,25)19-11-8-17(22)9-12-19/h3-14H,15H2,1-2H3
InChIKeyUGIZRNLVIQIHOL-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.75
Rot. Bonds7

About N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide

N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 46021764) has the molecular formula C21H20ClNO4S and a molecular weight of 417.91 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID46021764
Molecular FormulaC21H20ClNO4S
Molecular Weight417.91 g/mol
Exact Mass417.08
IUPAC NameN-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H20ClNO4S/c1-26-20-13-10-18(14-21(20)27-2)23(15-16-6-4-3-5-7-16)28(24,25)19-11-8-17(22)9-12-19/h3-14H,15H2,1-2H3
InChIKeyUGIZRNLVIQIHOL-UHFFFAOYSA-N
XLogP4.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125048807
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133256649
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide (CID 46021764) is N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is UGIZRNLVIQIHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4S/c1-26-20-13-10-18(14-21(20)27-2)23(15-16-6-4-3-5-7-16)28(24,25)19-11-8-17(22)9-12-19/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 417.91 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46021764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).