1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide

C17H16ClNO3S — CID 5189805

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H16ClNO3S/c1-12-2-6-14(7-3-12)19-16(20)17(10-11-17)23(21,22)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLPJKSSVBFDUNGT-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 5189805) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID5189805
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H16ClNO3S/c1-12-2-6-14(7-3-12)19-16(20)17(10-11-17)23(21,22)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLPJKSSVBFDUNGT-UHFFFAOYSA-N
XLogP3.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 3434566
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 23760849
N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15999936
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
CID 2326893

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide (CID 5189805) is 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LPJKSSVBFDUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-12-2-6-14(7-3-12)19-16(20)17(10-11-17)23(21,22)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 5189805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).