N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide

C15H16ClN3O3S2 — CID 47029422

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O3S2/c1-10-2-5-15(23-10)24(21,22)18-11-3-4-13(12(16)8-11)19-7-6-17-14(20)9-19/h2-5,8,18H,6-7,9H2,1H3,(H,17,20)
InChIKeyXECNMORADDOQLU-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.45
Rot. Bonds4

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 47029422) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
PubChem CID47029422
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O3S2/c1-10-2-5-15(23-10)24(21,22)18-11-3-4-13(12(16)8-11)19-7-6-17-14(20)9-19/h2-5,8,18H,6-7,9H2,1H3,(H,17,20)
InChIKeyXECNMORADDOQLU-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-sulfonamide
CID 55662919
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide
CID 55664182
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
CID 47045237
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55710749
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46468044

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide (CID 47029422) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)s1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is XECNMORADDOQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c1-10-2-5-15(23-10)24(21,22)18-11-3-4-13(12(16)8-11)19-7-6-17-14(20)9-19/h2-5,8,18H,6-7,9H2,1H3,(H,17,20).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 385.90 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47029422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).