N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide

C21H19ClN2O3S — CID 78841975

IUPACN-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C21H19ClN2O3S/c1-14-7-8-17(13-19(14)28(23,26)27)21(25)24-20(15-5-3-2-4-6-15)16-9-11-18(22)12-10-16/h2-13,20H,1H3,(H,24,25)(H2,23,26,27)
InChIKeyQKSFCAASWRSWRS-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.82
Rot. Bonds5

About N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide

N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide (PubChem CID 78841975) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
PubChem CID78841975
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C21H19ClN2O3S/c1-14-7-8-17(13-19(14)28(23,26)27)21(25)24-20(15-5-3-2-4-6-15)16-9-11-18(22)12-10-16/h2-13,20H,1H3,(H,24,25)(H2,23,26,27)
InChIKeyQKSFCAASWRSWRS-UHFFFAOYSA-N
XLogP3.82
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78840747
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide (CID 78841975) is N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1S(N)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
The InChIKey is QKSFCAASWRSWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-7-8-17(13-19(14)28(23,26)27)21(25)24-20(15-5-3-2-4-6-15)16-9-11-18(22)12-10-16/h2-13,20H,1H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 78841975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).