1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea

C14H14BrN3O3S — CID 36512082

IUPAC1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C14H14BrN3O3S/c1-16-14(19)17-10-5-4-6-11(9-10)18-22(20,21)13-8-3-2-7-12(13)15/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyUMDUSWYKFQNUDD-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.00
Rot. Bonds4

About 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea

1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 36512082) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID36512082
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C14H14BrN3O3S/c1-16-14(19)17-10-5-4-6-11(9-10)18-22(20,21)13-8-3-2-7-12(13)15/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyUMDUSWYKFQNUDD-UHFFFAOYSA-N
XLogP3.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 138041549
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-[4-[(2-bromo-4-methylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 39829886
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea (CID 36512082) is 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is UMDUSWYKFQNUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-16-14(19)17-10-5-4-6-11(9-10)18-22(20,21)13-8-3-2-7-12(13)15/h2-9,18H,1H3,(H2,16,17,19).
What are the key properties of 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea?
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 384.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 36512082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).