1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea

C19H16BrN3O3S — CID 24622073

IUPAC1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C19H16BrN3O3S/c20-14-6-4-11-18(12-14)27(25,26)23-17-10-5-9-16(13-17)22-19(24)21-15-7-2-1-3-8-15/h1-13,23H,(H2,21,22,24)
InChIKeyRCFZWMMMROSUHE-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.89
Rot. Bonds5

About 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea

1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 24622073) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID24622073
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C19H16BrN3O3S/c20-14-6-4-11-18(12-14)27(25,26)23-17-10-5-9-16(13-17)22-19(24)21-15-7-2-1-3-8-15/h1-13,23H,(H2,21,22,24)
InChIKeyRCFZWMMMROSUHE-UHFFFAOYSA-N
XLogP4.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
1-[4-[(3-bromophenyl)sulfonylamino]phenyl]-1-methyl-3-phenylurea
CID 140590159
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
CID 17247609
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenylurea
CID 9452295

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea (CID 24622073) is 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is RCFZWMMMROSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c20-14-6-4-11-18(12-14)27(25,26)23-17-10-5-9-16(13-17)22-19(24)21-15-7-2-1-3-8-15/h1-13,23H,(H2,21,22,24).
What are the key properties of 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea?
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 446.33 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 24622073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).