1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C16H21ClN2O3S — CID 3238139

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c17-13-3-5-14(6-4-13)23(21,22)16(7-8-16)15(20)18-9-12-19-10-1-2-11-19/h3-6H,1-2,7-12H2,(H,18,20)
InChIKeyLDXJDMVAKXLIFS-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.86
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 3238139) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID3238139
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c17-13-3-5-14(6-4-13)23(21,22)16(7-8-16)15(20)18-9-12-19-10-1-2-11-19/h3-6H,1-2,7-12H2,(H,18,20)
InChIKeyLDXJDMVAKXLIFS-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 5309230
3-(4-chlorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 2078300
3-{[(4-Chlorophenyl)sulfonyl]amino}-1-pyrrolidinylpropan-1-one
CID 2238981
4-Chloro-N-(3-(2-oxopyrrolidin-1-yl)propyl)benzenesulfonamide
CID 2361133
3-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 24819683
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 2819370
1-[(4-chlorophenyl)sulfonyl]-N-cyclohexyl-1-cyclopropanecarboxamide
CID 3406656
1-[3-(4-Chlorophenyl)sulfonylpropyl]-1,4-diazepan-5-one
CID 56799960
1-[2-(4-Chlorophenyl)sulfonylethyl]-1,4-diazepan-5-one
CID 56809657
Azepan-1-yl-[1-(4-chlorophenyl)sulfonylcyclopropyl]methanone
CID 3474446
1-[(4-chlorophenyl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropanecarboxamide
CID 22429149
[1-(4-Chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone
CID 866668

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 3238139) is 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is O=C(NCCN1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is LDXJDMVAKXLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-13-3-5-14(6-4-13)23(21,22)16(7-8-16)15(20)18-9-12-19-10-1-2-11-19/h3-6H,1-2,7-12H2,(H,18,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3238139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).