4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide

C21H26ClN3O3S — CID 25490786

IUPAC4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-17(11-12-18-7-3-2-4-8-18)23-21(26)24-13-15-25(16-14-24)29(27,28)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyIYNUWZALVPFKKM-QGZVFWFLSA-N
MW435.98 g/mol
LogP3.38
Rot. Bonds6

About 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide

4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide (PubChem CID 25490786) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
PubChem CID25490786
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-17(11-12-18-7-3-2-4-8-18)23-21(26)24-13-15-25(16-14-24)29(27,28)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyIYNUWZALVPFKKM-QGZVFWFLSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)sulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 27534090
4-(3,4-dimethoxyphenyl)sulfonyl-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 46486034
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26570877
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8899881
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 9429456
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
4-(2-chlorophenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110812061
4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide
CID 55910253

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide (CID 25490786) is 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide is C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide?
The InChIKey is IYNUWZALVPFKKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-17(11-12-18-7-3-2-4-8-18)23-21(26)24-13-15-25(16-14-24)29(27,28)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide?
4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide has a molecular weight of 435.98 g/mol, XLogP of 3.38, 6 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-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 25490786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).