6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide

C12H12ClF3N2O3S — CID 167928947

IUPAC6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NC(CO)CC(F)(F)F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H12ClF3N2O3S/c13-7-1-2-9-10(3-7)17-5-11(9)22(20,21)18-8(6-19)4-12(14,15)16/h1-3,5,8,17-19H,4,6H2
InChIKeyZSTCQRDRBNIATP-UHFFFAOYSA-N
MW356.75 g/mol
LogP2.41
Rot. Bonds5

About 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide

6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide (PubChem CID 167928947) has the molecular formula C12H12ClF3N2O3S and a molecular weight of 356.75 g/mol. Its IUPAC name is 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide
PubChem CID167928947
Molecular FormulaC12H12ClF3N2O3S
Molecular Weight356.75 g/mol
Exact Mass356.02
IUPAC Name6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NC(CO)CC(F)(F)F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H12ClF3N2O3S/c13-7-1-2-9-10(3-7)17-5-11(9)22(20,21)18-8(6-19)4-12(14,15)16/h1-3,5,8,17-19H,4,6H2
InChIKeyZSTCQRDRBNIATP-UHFFFAOYSA-N
XLogP2.41
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide (CID 167928947) is 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide is O=S(=O)(NC(CO)CC(F)(F)F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide?
The InChIKey is ZSTCQRDRBNIATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O3S/c13-7-1-2-9-10(3-7)17-5-11(9)22(20,21)18-8(6-19)4-12(14,15)16/h1-3,5,8,17-19H,4,6H2.
What are the key properties of 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide has a molecular weight of 356.75 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167928947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).