2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide

C16H21N5O2S — CID 125446326

IUPAC2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide
SMILESCCn1nc(C)cc1S(=O)(=O)N[C@@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C16H21N5O2S/c1-5-21-15(10-11(2)18-21)24(22,23)19-12(3)16-17-13-8-6-7-9-14(13)20(16)4/h6-10,12,19H,5H2,1-4H3/t12-/m0/s1
InChIKeyHTSASGQCHVSUGM-LBPRGKRZSA-N
MW347.44 g/mol
LogP2.14
Rot. Bonds5

About 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide

2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide (PubChem CID 125446326) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide
PubChem CID125446326
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide
SMILESCCn1nc(C)cc1S(=O)(=O)N[C@@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C16H21N5O2S/c1-5-21-15(10-11(2)18-21)24(22,23)19-12(3)16-17-13-8-6-7-9-14(13)20(16)4/h6-10,12,19H,5H2,1-4H3/t12-/m0/s1
InChIKeyHTSASGQCHVSUGM-LBPRGKRZSA-N
XLogP2.14
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 751102
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2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
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N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
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3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 103932470
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide (CID 125446326) is 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide is CCn1nc(C)cc1S(=O)(=O)N[C@@H](C)c1nc2ccccc2n1C.
What is the InChIKey of 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide?
The InChIKey is HTSASGQCHVSUGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-5-21-15(10-11(2)18-21)24(22,23)19-12(3)16-17-13-8-6-7-9-14(13)20(16)4/h6-10,12,19H,5H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide?
2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 125446326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).