N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C16H15BrN2O3S — CID 17459656

IUPACN-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1)C1CC1
InChIInChI=1S/C16H15BrN2O3S/c17-14-3-1-2-4-15(14)23(21,22)19-13-9-7-12(8-10-13)18-16(20)11-5-6-11/h1-4,7-11,19H,5-6H2,(H,18,20)
InChIKeyWRIYBFFTSRPOMN-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.60
Rot. Bonds5

About N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 17459656) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID17459656
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC NameN-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1)C1CC1
InChIInChI=1S/C16H15BrN2O3S/c17-14-3-1-2-4-15(14)23(21,22)19-13-9-7-12(8-10-13)18-16(20)11-5-6-11/h1-4,7-11,19H,5-6H2,(H,18,20)
InChIKeyWRIYBFFTSRPOMN-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-[4-[(2-chloro-3-pyridinyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 24650969
N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30287313
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166626240
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788351
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
CID 16774559
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 17459656) is N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Br)cc1)C1CC1.
What is the InChIKey of N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is WRIYBFFTSRPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-14-3-1-2-4-15(14)23(21,22)19-13-9-7-12(8-10-13)18-16(20)11-5-6-11/h1-4,7-11,19H,5-6H2,(H,18,20).
What are the key properties of N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-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-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17459656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).