4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide

C13H20N4O3S — CID 61127355

IUPAC4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(S(=O)(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C13H20N4O3S/c1-2-15-13(18)16-6-8-17(9-7-16)21(19,20)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9,14H2,1H3,(H,15,18)
InChIKeySVOOOPPTXDBJDH-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.30
Rot. Bonds3

About 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide

4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide (PubChem CID 61127355) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
PubChem CID61127355
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(S(=O)(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C13H20N4O3S/c1-2-15-13(18)16-6-8-17(9-7-16)21(19,20)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9,14H2,1H3,(H,15,18)
InChIKeySVOOOPPTXDBJDH-UHFFFAOYSA-N
XLogP0.30
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 61109396
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905
methyl 2-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]acetate
CID 61140997
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534495
4-(3-chlorophenyl)sulfonyl-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110811211
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
N-ethyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8770222
3-[4-(3-methylbutyl)piperazin-1-yl]sulfonylaniline
CID 61141113
4-(benzenesulfonyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 108893693
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide (CID 61127355) is 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(S(=O)(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide?
The InChIKey is SVOOOPPTXDBJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-15-13(18)16-6-8-17(9-7-16)21(19,20)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9,14H2,1H3,(H,15,18).
What are the key properties of 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide?
4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 61127355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).