N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C17H16ClNO3S — CID 3434566

IUPACN-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H16ClNO3S/c1-12-5-7-15(8-6-12)23(21,22)17(9-10-17)16(20)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyMYCLZCNWFPKDSB-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.59
Rot. Bonds4

About N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 3434566) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID3434566
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC NameN-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H16ClNO3S/c1-12-5-7-15(8-6-12)23(21,22)17(9-10-17)16(20)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyMYCLZCNWFPKDSB-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-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
N-(1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 23760849
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 51096728
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-(4-chlorophenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 39639078
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone
CID 115048354

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 3434566) is N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is MYCLZCNWFPKDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-12-5-7-15(8-6-12)23(21,22)17(9-10-17)16(20)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-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 N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 3434566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).