5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide

C12H17ClN4O2S2 — CID 97046731

IUPAC5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1cccs1
InChIInChI=1S/C12H17ClN4O2S2/c1-16(2)9(10-5-4-6-20-10)7-15-21(18,19)12-11(13)17(3)8-14-12/h4-6,8-9,15H,7H2,1-3H3/t9-/m0/s1
InChIKeyPFCHSFPPLBRIPH-VIFPVBQESA-N
MW348.88 g/mol
LogP1.72
Rot. Bonds6

About 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 97046731) has the molecular formula C12H17ClN4O2S2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
PubChem CID97046731
Molecular FormulaC12H17ClN4O2S2
Molecular Weight348.88 g/mol
Exact Mass348.05
IUPAC Name5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1cccs1
InChIInChI=1S/C12H17ClN4O2S2/c1-16(2)9(10-5-4-6-20-10)7-15-21(18,19)12-11(13)17(3)8-14-12/h4-6,8-9,15H,7H2,1-3H3/t9-/m0/s1
InChIKeyPFCHSFPPLBRIPH-VIFPVBQESA-N
XLogP1.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide (CID 97046731) is 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide is CN(C)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1cccs1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is PFCHSFPPLBRIPH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN4O2S2/c1-16(2)9(10-5-4-6-20-10)7-15-21(18,19)12-11(13)17(3)8-14-12/h4-6,8-9,15H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 348.88 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97046731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).