N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide

C21H22N2O5S2 — CID 1025614

IUPACN-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H22N2O5S2/c1-23(16-17-6-4-3-5-7-17)30(26,27)21-12-8-18(9-13-21)22-29(24,25)20-14-10-19(28-2)11-15-20/h3-15,22H,16H2,1-2H3
InChIKeyVBFZGHHFPGPRDN-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.32
Rot. Bonds8

About N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide

N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide (PubChem CID 1025614) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
PubChem CID1025614
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC NameN-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H22N2O5S2/c1-23(16-17-6-4-3-5-7-17)30(26,27)21-12-8-18(9-13-21)22-29(24,25)20-14-10-19(28-2)11-15-20/h3-15,22H,16H2,1-2H3
InChIKeyVBFZGHHFPGPRDN-UHFFFAOYSA-N
XLogP3.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 19109362
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192752
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide (CID 1025614) is N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide?
The InChIKey is VBFZGHHFPGPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-23(16-17-6-4-3-5-7-17)30(26,27)21-12-8-18(9-13-21)22-29(24,25)20-14-10-19(28-2)11-15-20/h3-15,22H,16H2,1-2H3.
What are the key properties of N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide?
N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide has a molecular weight of 446.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 1025614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).