N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

C21H20ClN3O3S2 — CID 2422761

IUPACN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O3S2/c22-18-4-1-2-5-19(18)24-11-13-25(14-12-24)21(26)16-7-9-17(10-8-16)23-30(27,28)20-6-3-15-29-20/h1-10,15,23H,11-14H2
InChIKeyKCONFCSSGDLSRL-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (PubChem CID 2422761) has the molecular formula C21H20ClN3O3S2 and a molecular weight of 462.00 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
PubChem CID2422761
Molecular FormulaC21H20ClN3O3S2
Molecular Weight462.00 g/mol
Exact Mass461.06
IUPAC NameN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O3S2/c22-18-4-1-2-5-19(18)24-11-13-25(14-12-24)21(26)16-7-9-17(10-8-16)23-30(27,28)20-6-3-15-29-20/h1-10,15,23H,11-14H2
InChIKeyKCONFCSSGDLSRL-UHFFFAOYSA-N
XLogP4.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (CID 2422761) is N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is KCONFCSSGDLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S2/c22-18-4-1-2-5-19(18)24-11-13-25(14-12-24)21(26)16-7-9-17(10-8-16)23-30(27,28)20-6-3-15-29-20/h1-10,15,23H,11-14H2.
What are the key properties of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 462.00 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).