N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide

C16H17N3O3S — CID 110724188

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)CCCc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H17N3O3S/c20-16-17-14-9-8-13(11-15(14)18-16)19-23(21,22)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,19H,4,7,10H2,(H2,17,18,20)
InChIKeyHUAHZQGSKSBIGD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.23
Rot. Bonds6

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide (PubChem CID 110724188) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
PubChem CID110724188
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)CCCc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H17N3O3S/c20-16-17-14-9-8-13(11-15(14)18-16)19-23(21,22)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,19H,4,7,10H2,(H2,17,18,20)
InChIKeyHUAHZQGSKSBIGD-UHFFFAOYSA-N
XLogP2.23
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
CID 110724401
N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110726477
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110668493
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
1-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methanesulfonamide
CID 83083735
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113900
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide (CID 110724188) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)CCCc3ccccc3)cc2[nH]1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide?
The InChIKey is HUAHZQGSKSBIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16-17-14-9-8-13(11-15(14)18-16)19-23(21,22)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,19H,4,7,10H2,(H2,17,18,20).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110724188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).