N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C17H17ClN2O3S — CID 32677158

IUPACN-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c1-11-2-9-16(15(18)10-11)24(22,23)20-14-7-5-13(6-8-14)19-17(21)12-3-4-12/h2,5-10,12,20H,3-4H2,1H3,(H,19,21)
InChIKeyQABJBOJQBBYUSC-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.80
Rot. Bonds5

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

N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 32677158) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID32677158
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c1-11-2-9-16(15(18)10-11)24(22,23)20-14-7-5-13(6-8-14)19-17(21)12-3-4-12/h2,5-10,12,20H,3-4H2,1H3,(H,19,21)
InChIKeyQABJBOJQBBYUSC-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 32677158) is N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(Cl)c1.
What is the InChIKey of N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is QABJBOJQBBYUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-2-9-16(15(18)10-11)24(22,23)20-14-7-5-13(6-8-14)19-17(21)12-3-4-12/h2,5-10,12,20H,3-4H2,1H3,(H,19,21).
What are the key properties of N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 32677158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).