1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea

C20H19N3O5S2 — CID 146591354

IUPAC1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H19N3O5S2/c1-15-10-12-19(13-11-15)30(27,28)23-20(24)21-16-6-5-7-17(14-16)22-29(25,26)18-8-3-2-4-9-18/h2-14,22H,1H3,(H2,21,23,24)
InChIKeySXMGIPZPWBEXCU-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.31
Rot. Bonds6

About 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea

1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 146591354) has the molecular formula C20H19N3O5S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID146591354
Molecular FormulaC20H19N3O5S2
Molecular Weight445.52 g/mol
Exact Mass445.08
IUPAC Name1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H19N3O5S2/c1-15-10-12-19(13-11-15)30(27,28)23-20(24)21-16-6-5-7-17(14-16)22-29(25,26)18-8-3-2-4-9-18/h2-14,22H,1H3,(H2,21,23,24)
InChIKeySXMGIPZPWBEXCU-UHFFFAOYSA-N
XLogP3.31
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phosphonic acid
CID 90890500
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
benzyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564869
2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 35545961
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
CID 91616190
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea (CID 146591354) is 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is SXMGIPZPWBEXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S2/c1-15-10-12-19(13-11-15)30(27,28)23-20(24)21-16-6-5-7-17(14-16)22-29(25,26)18-8-3-2-4-9-18/h2-14,22H,1H3,(H2,21,23,24).
What are the key properties of 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea?
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 445.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 146591354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).