N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide

C23H27ClN4O3S — CID 55430343

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H27ClN4O3S/c1-15(2)13-21(22-25-19-7-3-4-8-20(19)26-22)27-23(29)17-14-16(9-10-18(17)24)32(30,31)28-11-5-6-12-28/h3-4,7-10,14-15,21H,5-6,11-13H2,1-2H3,(H,25,26)(H,27,29)
InChIKeySUUXDHIIDZAUEA-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.52
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55430343) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55430343
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H27ClN4O3S/c1-15(2)13-21(22-25-19-7-3-4-8-20(19)26-22)27-23(29)17-14-16(9-10-18(17)24)32(30,31)28-11-5-6-12-28/h3-4,7-10,14-15,21H,5-6,11-13H2,1-2H3,(H,25,26)(H,27,29)
InChIKeySUUXDHIIDZAUEA-UHFFFAOYSA-N
XLogP4.52
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 60620375
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
5-(azepan-1-ylsulfonyl)-2-chloro-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46763173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzamide
CID 2515814
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112798367
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55488977
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55430343) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide is CC(C)CC(NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is SUUXDHIIDZAUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-15(2)13-21(22-25-19-7-3-4-8-20(19)26-22)27-23(29)17-14-16(9-10-18(17)24)32(30,31)28-11-5-6-12-28/h3-4,7-10,14-15,21H,5-6,11-13H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 475.01 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55430343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).