4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide

C16H15ClN2O2S2 — CID 87290241

IUPAC4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cc3c(Cl)nccc3s2)cc1
InChIInChI=1S/C16H15ClN2O2S2/c1-10(2)11-3-5-12(6-4-11)19-23(20,21)15-9-13-14(22-15)7-8-18-16(13)17/h3-10,19H,1-2H3
InChIKeyMHTYYIYYYCKRKX-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.87
Rot. Bonds4

About 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide

4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 87290241) has the molecular formula C16H15ClN2O2S2 and a molecular weight of 366.90 g/mol. Its IUPAC name is 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID87290241
Molecular FormulaC16H15ClN2O2S2
Molecular Weight366.90 g/mol
Exact Mass366.03
IUPAC Name4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2cc3c(Cl)nccc3s2)cc1
InChIInChI=1S/C16H15ClN2O2S2/c1-10(2)11-3-5-12(6-4-11)19-23(20,21)15-9-13-14(22-15)7-8-18-16(13)17/h3-10,19H,1-2H3
InChIKeyMHTYYIYYYCKRKX-UHFFFAOYSA-N
XLogP4.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10343881
4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine
CID 20680804
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
4-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;N-(4-chlorophenyl)-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 162123188
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 67156708
2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 103414481
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2-ethylsulfanyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 142682269
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide (CID 87290241) is 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2cc3c(Cl)nccc3s2)cc1.
What is the InChIKey of 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is MHTYYIYYYCKRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S2/c1-10(2)11-3-5-12(6-4-11)19-23(20,21)15-9-13-14(22-15)7-8-18-16(13)17/h3-10,19H,1-2H3.
What are the key properties of 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide?
4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 366.90 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 87290241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).