N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide

C22H22ClN3O3S2 — CID 2337129

IUPACN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22ClN3O3S2/c23-20-10-11-21(30-20)31(28,29)24-19-9-5-4-8-18(19)22(27)26-14-12-25(13-15-26)16-17-6-2-1-3-7-17/h1-11,24H,12-16H2
InChIKeyFDYLWZRLOOLTCU-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide

N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 2337129) has the molecular formula C22H22ClN3O3S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
PubChem CID2337129
Molecular FormulaC22H22ClN3O3S2
Molecular Weight476.02 g/mol
Exact Mass475.08
IUPAC NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22ClN3O3S2/c23-20-10-11-21(30-20)31(28,29)24-19-9-5-4-8-18(19)22(27)26-14-12-25(13-15-26)16-17-6-2-1-3-7-17/h1-11,24H,12-16H2
InChIKeyFDYLWZRLOOLTCU-UHFFFAOYSA-N
XLogP4.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 2333559
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757
(2-anilinophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768627
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 39191268
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 27841515
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide (CID 2337129) is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is FDYLWZRLOOLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S2/c23-20-10-11-21(30-20)31(28,29)24-19-9-5-4-8-18(19)22(27)26-14-12-25(13-15-26)16-17-6-2-1-3-7-17/h1-11,24H,12-16H2.
What are the key properties of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 476.02 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 2337129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).