1-benzhydryl-3-(4-methylphenyl)sulfonylurea

C21H20N2O3S — CID 1124078

IUPAC1-benzhydryl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-12-14-19(15-13-16)27(25,26)23-21(24)22-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyVCKZKLRZSCYZDI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.77
Rot. Bonds5

About 1-benzhydryl-3-(4-methylphenyl)sulfonylurea

1-benzhydryl-3-(4-methylphenyl)sulfonylurea (PubChem CID 1124078) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-benzhydryl-3-(4-methylphenyl)sulfonylurea
PubChem CID1124078
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-benzhydryl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-12-14-19(15-13-16)27(25,26)23-21(24)22-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyVCKZKLRZSCYZDI-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid
CID 36691003
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1-benzhydryl-3-[3-(phenylcarbamoylamino)phenyl]sulfonylurea
CID 154259297
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
[2-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylethyl] N-(4-methylphenyl)sulfonylcarbamate
CID 2813116
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
(2S)-2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]propanoate
CID 7472553
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-benzhydryl-3-(4-methylphenyl)sulfonylurea (CID 1124078) is 1-benzhydryl-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-benzhydryl-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-benzhydryl-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-3-(4-methylphenyl)sulfonylurea?
The InChIKey is VCKZKLRZSCYZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-12-14-19(15-13-16)27(25,26)23-21(24)22-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(4-methylphenyl)sulfonylurea?
1-benzhydryl-3-(4-methylphenyl)sulfonylurea has a molecular weight of 380.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 1124078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).