N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide

C15H22ClN3O3S — CID 110811078

IUPACN-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-15(2,3)17-14(20)18-8-10-19(11-9-18)23(21,22)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyKWMBVXCVPXBFTJ-UHFFFAOYSA-N
MW359.88 g/mol
LogP2.15
Rot. Bonds2

About N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide

N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811078) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811078
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-15(2,3)17-14(20)18-8-10-19(11-9-18)23(21,22)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyKWMBVXCVPXBFTJ-UHFFFAOYSA-N
XLogP2.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811236
tert-butyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate
CID 2796253
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496065
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]amino]butanoic acid
CID 122021772
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide (CID 110811078) is N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is KWMBVXCVPXBFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-15(2,3)17-14(20)18-8-10-19(11-9-18)23(21,22)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide?
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).