N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C16H15BrN2O3S — CID 35541087

IUPACN-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1)C1CC1
InChIInChI=1S/C16H15BrN2O3S/c17-12-3-1-6-15(9-12)23(21,22)19-14-5-2-4-13(10-14)18-16(20)11-7-8-11/h1-6,9-11,19H,7-8H2,(H,18,20)
InChIKeyPAJHSUMJSPUYNJ-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.60
Rot. Bonds5

About N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 35541087) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID35541087
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC NameN-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1)C1CC1
InChIInChI=1S/C16H15BrN2O3S/c17-12-3-1-6-15(9-12)23(21,22)19-14-5-2-4-13(10-14)18-16(20)11-7-8-11/h1-6,9-11,19H,7-8H2,(H,18,20)
InChIKeyPAJHSUMJSPUYNJ-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30287313
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 35541087) is N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1)C1CC1.
What is the InChIKey of N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is PAJHSUMJSPUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-12-3-1-6-15(9-12)23(21,22)19-14-5-2-4-13(10-14)18-16(20)11-7-8-11/h1-6,9-11,19H,7-8H2,(H,18,20).
What are the key properties of N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 395.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 35541087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).