3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide

C23H26ClN5O3S2 — CID 66803561

IUPAC3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
SMILESO=c1[nH]c2cccc(N3CCN(CCCCNS(=O)(=O)c4sc5ccccc5c4Cl)CC3)c2[nH]1
InChIInChI=1S/C23H26ClN5O3S2/c24-20-16-6-1-2-9-19(16)33-22(20)34(31,32)25-10-3-4-11-28-12-14-29(15-13-28)18-8-5-7-17-21(18)27-23(30)26-17/h1-2,5-9,25H,3-4,10-15H2,(H2,26,27,30)
InChIKeyFAKNRICIKXRLGP-UHFFFAOYSA-N
MW520.08 g/mol
LogP3.61
Rot. Bonds8

About 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide

3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide (PubChem CID 66803561) has the molecular formula C23H26ClN5O3S2 and a molecular weight of 520.08 g/mol. Its IUPAC name is 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
PubChem CID66803561
Molecular FormulaC23H26ClN5O3S2
Molecular Weight520.08 g/mol
Exact Mass519.12
IUPAC Name3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
SMILESO=c1[nH]c2cccc(N3CCN(CCCCNS(=O)(=O)c4sc5ccccc5c4Cl)CC3)c2[nH]1
InChIInChI=1S/C23H26ClN5O3S2/c24-20-16-6-1-2-9-19(16)33-22(20)34(31,32)25-10-3-4-11-28-12-14-29(15-13-28)18-8-5-7-17-21(18)27-23(30)26-17/h1-2,5-9,25H,3-4,10-15H2,(H2,26,27,30)
InChIKeyFAKNRICIKXRLGP-UHFFFAOYSA-N
XLogP3.61
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.08
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]naphthalene-1-sulfonamide
CID 66801231
N-[4-[4-(2-oxo-3H-1,3-benzoxazol-4-yl)piperazin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide
CID 66801077
6-fluoro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 68906098
5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
CID 56955991
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
5-chloro-N-[4-[4-(3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
CID 66801475
N-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]isoquinoline-4-sulfonamide;hydrochloride
CID 172869473
4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 136563742
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-fluorobenzenesulfonamide
CID 56943596
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide (CID 66803561) is 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide is O=c1[nH]c2cccc(N3CCN(CCCCNS(=O)(=O)c4sc5ccccc5c4Cl)CC3)c2[nH]1.
What is the InChIKey of 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is FAKNRICIKXRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3S2/c24-20-16-6-1-2-9-19(16)33-22(20)34(31,32)25-10-3-4-11-28-12-14-29(15-13-28)18-8-5-7-17-21(18)27-23(30)26-17/h1-2,5-9,25H,3-4,10-15H2,(H2,26,27,30).
What are the key properties of 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide?
3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 520.08 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 66803561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).