N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

C23H23N3O5S3 — CID 6187731

IUPACN-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H23N3O5S3/c27-23(20-8-10-21(11-9-20)24-34(30,31)22-7-4-17-32-22)25-13-15-26(16-14-25)33(28,29)18-12-19-5-2-1-3-6-19/h1-12,17-18,24H,13-16H2/b18-12+
InChIKeySGJWMJCTHJGMKR-LDADJPATSA-N
MW517.65 g/mol
LogP3.31
Rot. Bonds7

About N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (PubChem CID 6187731) has the molecular formula C23H23N3O5S3 and a molecular weight of 517.65 g/mol. Its IUPAC name is N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
PubChem CID6187731
Molecular FormulaC23H23N3O5S3
Molecular Weight517.65 g/mol
Exact Mass517.08
IUPAC NameN-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H23N3O5S3/c27-23(20-8-10-21(11-9-20)24-34(30,31)22-7-4-17-32-22)25-13-15-26(16-14-25)33(28,29)18-12-19-5-2-1-3-6-19/h1-12,17-18,24H,13-16H2/b18-12+
InChIKeySGJWMJCTHJGMKR-LDADJPATSA-N
XLogP3.31
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.65
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
(3-chlorophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 8925154
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55605217
1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 78780092
(E)-2-phenyl-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]ethenesulfonamide
CID 55349767
N-[3-methyl-1-oxo-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-yl]thiophene-2-carboxamide
CID 55377646
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
CID 55347658
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide
CID 16944267
(E)-N-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 9496389
(2-bromophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 26870461
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (CID 6187731) is N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is SGJWMJCTHJGMKR-LDADJPATSA-N. The full InChI is InChI=1S/C23H23N3O5S3/c27-23(20-8-10-21(11-9-20)24-34(30,31)22-7-4-17-32-22)25-13-15-26(16-14-25)33(28,29)18-12-19-5-2-1-3-6-19/h1-12,17-18,24H,13-16H2/b18-12+.
What are the key properties of N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 517.65 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6187731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).