4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C17H19N3O4S2 — CID 164625405

IUPAC4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccsc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H19N3O4S2/c1-12-6-11-25-15(12)17(22)20-9-7-19(8-10-20)16(21)13-2-4-14(5-3-13)26(18,23)24/h2-6,11H,7-10H2,1H3,(H2,18,23,24)
InChIKeyPWDMMKQTHARCGF-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.30
Rot. Bonds3

About 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164625405) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164625405
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccsc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H19N3O4S2/c1-12-6-11-25-15(12)17(22)20-9-7-19(8-10-20)16(21)13-2-4-14(5-3-13)26(18,23)24/h2-6,11H,7-10H2,1H3,(H2,18,23,24)
InChIKeyPWDMMKQTHARCGF-UHFFFAOYSA-N
XLogP1.30
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[4-(Phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 146048142
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)thiophene-2-carboxamide
CID 6486036
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 16305983
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164625405) is 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is Cc1ccsc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is PWDMMKQTHARCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-12-6-11-25-15(12)17(22)20-9-7-19(8-10-20)16(21)13-2-4-14(5-3-13)26(18,23)24/h2-6,11H,7-10H2,1H3,(H2,18,23,24).
What are the key properties of 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 393.49 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164625405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).