2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C15H15ClF3N3O2S — CID 129338244

IUPAC2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H15ClF3N3O2S/c16-12-8-11(15(17,18)19)1-2-13(12)25(23,24)21-9-10-3-5-22-6-4-20-14(22)7-10/h1-2,4,6,8,10,21H,3,5,7,9H2/t10-/m1/s1
InChIKeyUGADSYONPAVQEX-SNVBAGLBSA-N
MW393.82 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 129338244) has the molecular formula C15H15ClF3N3O2S and a molecular weight of 393.82 g/mol. Its IUPAC name is 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID129338244
Molecular FormulaC15H15ClF3N3O2S
Molecular Weight393.82 g/mol
Exact Mass393.05
IUPAC Name2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H15ClF3N3O2S/c16-12-8-11(15(17,18)19)1-2-13(12)25(23,24)21-9-10-3-5-22-6-4-20-14(22)7-10/h1-2,4,6,8,10,21H,3,5,7,9H2/t10-/m1/s1
InChIKeyUGADSYONPAVQEX-SNVBAGLBSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 129342081
2-chloro-4-cyano-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337743
2-chloro-5-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 128997553
4-chloro-3-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129003002
6-chloro-3-oxo-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 129328655
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)thiophene-3-sulfonamide
CID 128967311
5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337322
4-(2-oxopyrrolidin-1-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129329458
5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129335423
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129332677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 129338244) is 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UGADSYONPAVQEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2S/c16-12-8-11(15(17,18)19)1-2-13(12)25(23,24)21-9-10-3-5-22-6-4-20-14(22)7-10/h1-2,4,6,8,10,21H,3,5,7,9H2/t10-/m1/s1.
What are the key properties of 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 393.82 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 129338244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).