4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide

C16H12ClN3O2S2 — CID 127036947

IUPAC4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1
InChIInChI=1S/C16H12ClN3O2S2/c17-11-1-6-14-15(7-11)23-9-10-8-20(19-16(10)14)12-2-4-13(5-3-12)24(18,21)22/h1-8H,9H2,(H2,18,21,22)
InChIKeyBVUGOXPVDVQVNW-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.45
Rot. Bonds2

About 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide

4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide (PubChem CID 127036947) has the molecular formula C16H12ClN3O2S2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide
PubChem CID127036947
Molecular FormulaC16H12ClN3O2S2
Molecular Weight377.88 g/mol
Exact Mass377.01
IUPAC Name4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1
InChIInChI=1S/C16H12ClN3O2S2/c17-11-1-6-14-15(7-11)23-9-10-8-20(19-16(10)14)12-2-4-13(5-3-12)24(18,21)22/h1-8H,9H2,(H2,18,21,22)
InChIKeyBVUGOXPVDVQVNW-UHFFFAOYSA-N
XLogP3.45
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide (CID 127036947) is 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccc(Cl)cc2SC3)cc1.
What is the InChIKey of 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide?
The InChIKey is BVUGOXPVDVQVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S2/c17-11-1-6-14-15(7-11)23-9-10-8-20(19-16(10)14)12-2-4-13(5-3-12)24(18,21)22/h1-8H,9H2,(H2,18,21,22).
What are the key properties of 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide?
4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide has a molecular weight of 377.88 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 127036947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).