N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

C17H21N3O3S2 — CID 90500457

IUPACN-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H21N3O3S2/c21-17(15-6-13-24-14-15)20-11-9-19(10-12-20)8-7-18-25(22,23)16-4-2-1-3-5-16/h1-6,13-14,18H,7-12H2
InChIKeyRDEFHUOHRAJGSV-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.48
Rot. Bonds6

About N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 90500457) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID90500457
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H21N3O3S2/c21-17(15-6-13-24-14-15)20-11-9-19(10-12-20)8-7-18-25(22,23)16-4-2-1-3-5-16/h1-6,13-14,18H,7-12H2
InChIKeyRDEFHUOHRAJGSV-UHFFFAOYSA-N
XLogP1.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500480
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
5-chloro-2-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500434
1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 90500443
2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500432
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
CID 71782823
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 80666043
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110397830

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 90500457) is N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is O=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RDEFHUOHRAJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-17(15-6-13-24-14-15)20-11-9-19(10-12-20)8-7-18-25(22,23)16-4-2-1-3-5-16/h1-6,13-14,18H,7-12H2.
What are the key properties of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 379.51 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90500457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).