N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C17H18N2O3S — CID 35540803

IUPACN-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-5-9-16(10-6-12)23(21,22)19-15-4-2-3-14(11-15)18-17(20)13-7-8-13/h2-6,9-11,13,19H,7-8H2,1H3,(H,18,20)
InChIKeyBNVGZPQEMBCIIQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.14
Rot. Bonds5

About N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 35540803) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID35540803
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-5-9-16(10-6-12)23(21,22)19-15-4-2-3-14(11-15)18-17(20)13-7-8-13/h2-6,9-11,13,19H,7-8H2,1H3,(H,18,20)
InChIKeyBNVGZPQEMBCIIQ-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 35545961
N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
CID 169370677
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 35540803) is N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is BNVGZPQEMBCIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-5-9-16(10-6-12)23(21,22)19-15-4-2-3-14(11-15)18-17(20)13-7-8-13/h2-6,9-11,13,19H,7-8H2,1H3,(H,18,20).
What are the key properties of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 35540803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).