5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C17H22ClN3O3S2 — CID 42267578

IUPAC5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C17H22ClN3O3S2/c1-24-15-4-2-14(3-5-15)21-12-10-20(11-13-21)9-8-19-26(22,23)17-7-6-16(18)25-17/h2-7,19H,8-13H2,1H3
InChIKeyNPTICDWELQPSAX-UHFFFAOYSA-N
MW415.97 g/mol
LogP2.51
Rot. Bonds7

About 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 42267578) has the molecular formula C17H22ClN3O3S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID42267578
Molecular FormulaC17H22ClN3O3S2
Molecular Weight415.97 g/mol
Exact Mass415.08
IUPAC Name5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C17H22ClN3O3S2/c1-24-15-4-2-14(3-5-15)21-12-10-20(11-13-21)9-8-19-26(22,23)17-7-6-16(18)25-17/h2-7,19H,8-13H2,1H3
InChIKeyNPTICDWELQPSAX-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 42267578) is 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is NPTICDWELQPSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S2/c1-24-15-4-2-14(3-5-15)21-12-10-20(11-13-21)9-8-19-26(22,23)17-7-6-16(18)25-17/h2-7,19H,8-13H2,1H3.
What are the key properties of 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 415.97 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).