4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide

C16H19N3O3S2 — CID 39191268

IUPAC4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C16H19N3O3S2/c17-24(21,22)15-10-14(12-23-15)16(20)19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H2,17,21,22)
InChIKeyXMNAYAAZHSEHKG-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.35
Rot. Bonds4

About 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide

4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 39191268) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID39191268
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C16H19N3O3S2/c17-24(21,22)15-10-14(12-23-15)16(20)19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H2,17,21,22)
InChIKeyXMNAYAAZHSEHKG-UHFFFAOYSA-N
XLogP1.35
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide
CID 134061909
3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide
CID 110678069
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
(13-benzyl-1,9-dithia-5,13-diazacyclohexadec-5-yl)-[3,5-bis(13-benzyl-1,9-dithia-5,13-diazacyclohexadecane-5-carbonyl)phenyl]methanone
CID 10582187
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide (CID 39191268) is 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is XMNAYAAZHSEHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c17-24(21,22)15-10-14(12-23-15)16(20)19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H2,17,21,22).
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 365.48 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 39191268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).