4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide

C16H22ClN3O3S — CID 41356049

IUPAC4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CC1
InChIInChI=1S/C16H22ClN3O3S/c1-12(13-6-7-13)18-16(21)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyMUHLWSBMVXIGRI-LBPRGKRZSA-N
MW371.89 g/mol
LogP2.15
Rot. Bonds4

About 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide

4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide (PubChem CID 41356049) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
PubChem CID41356049
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CC1
InChIInChI=1S/C16H22ClN3O3S/c1-12(13-6-7-13)18-16(21)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyMUHLWSBMVXIGRI-LBPRGKRZSA-N
XLogP2.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide (CID 41356049) is 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CC1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
The InChIKey is MUHLWSBMVXIGRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-12(13-6-7-13)18-16(21)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 41356049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).