N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide

C19H23N3O3S — CID 10270702

IUPACN-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-12(2)26(24,25)20-11-13(3)14-4-6-15(7-5-14)16-8-9-17-18(10-16)22-19(23)21-17/h4-10,12-13,20H,11H2,1-3H3,(H2,21,22,23)
InChIKeyXALDNIAGCFDKRF-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.95
Rot. Bonds6

About N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide

N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 10270702) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide
PubChem CID10270702
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-12(2)26(24,25)20-11-13(3)14-4-6-15(7-5-14)16-8-9-17-18(10-16)22-19(23)21-17/h4-10,12-13,20H,11H2,1-3H3,(H2,21,22,23)
InChIKeyXALDNIAGCFDKRF-UHFFFAOYSA-N
XLogP2.95
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide (CID 10270702) is N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is XALDNIAGCFDKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)26(24,25)20-11-13(3)14-4-6-15(7-5-14)16-8-9-17-18(10-16)22-19(23)21-17/h4-10,12-13,20H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10270702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).