N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide

C22H22N2O3S — CID 21130775

IUPACN-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
SMILESCc1ccc(C(NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)24-22(25)19-11-13-20(14-12-19)28(23,26)27/h3-14,21H,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyAFOBWBZHBIQWRA-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.47
Rot. Bonds5

About N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide

N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide (PubChem CID 21130775) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
PubChem CID21130775
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
SMILESCc1ccc(C(NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)24-22(25)19-11-13-20(14-12-19)28(23,26)27/h3-14,21H,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyAFOBWBZHBIQWRA-UHFFFAOYSA-N
XLogP3.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
aminourea;4-methylbenzenesulfonamide
CID 174801132
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 55305619
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide (CID 21130775) is N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide is Cc1ccc(C(NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide?
The InChIKey is AFOBWBZHBIQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)24-22(25)19-11-13-20(14-12-19)28(23,26)27/h3-14,21H,1-2H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide?
N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 21130775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).