1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea

C17H14BrN3O3S2 — CID 31075750

IUPAC1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C17H14BrN3O3S2/c18-15-9-10-16(25-15)26(23,24)21-14-8-4-7-13(11-14)20-17(22)19-12-5-2-1-3-6-12/h1-11,21H,(H2,19,20,22)
InChIKeyDRYHKBDSPHFHTD-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.96
Rot. Bonds5

About 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea

1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 31075750) has the molecular formula C17H14BrN3O3S2 and a molecular weight of 452.36 g/mol. Its IUPAC name is 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID31075750
Molecular FormulaC17H14BrN3O3S2
Molecular Weight452.36 g/mol
Exact Mass450.97
IUPAC Name1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C17H14BrN3O3S2/c18-15-9-10-16(25-15)26(23,24)21-14-8-4-7-13(11-14)20-17(22)19-12-5-2-1-3-6-12/h1-11,21H,(H2,19,20,22)
InChIKeyDRYHKBDSPHFHTD-UHFFFAOYSA-N
XLogP4.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579145
3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 138041549
5-bromo-N-[3-(1,3-dithiolan-2-yl)phenyl]thiophene-2-sulfonamide
CID 27658375
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea (CID 31075750) is 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is DRYHKBDSPHFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S2/c18-15-9-10-16(25-15)26(23,24)21-14-8-4-7-13(11-14)20-17(22)19-12-5-2-1-3-6-12/h1-11,21H,(H2,19,20,22).
What are the key properties of 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea?
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 452.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 31075750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).