N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide

C12H12ClN3O2S2 — CID 102692643

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCSc2ccc(Cl)cc21)c1ccn[nH]1
InChIInChI=1S/C12H12ClN3O2S2/c13-8-1-2-11-9(7-8)10(4-6-19-11)16-20(17,18)12-3-5-14-15-12/h1-3,5,7,10,16H,4,6H2,(H,14,15)
InChIKeyWSQNXQRMYZUOPI-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.58
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692643) has the molecular formula C12H12ClN3O2S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102692643
Molecular FormulaC12H12ClN3O2S2
Molecular Weight329.83 g/mol
Exact Mass329.01
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCSc2ccc(Cl)cc21)c1ccn[nH]1
InChIInChI=1S/C12H12ClN3O2S2/c13-8-1-2-11-9(7-8)10(4-6-19-11)16-20(17,18)12-3-5-14-15-12/h1-3,5,7,10,16H,4,6H2,(H,14,15)
InChIKeyWSQNXQRMYZUOPI-UHFFFAOYSA-N
XLogP2.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
CID 174328503
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-4-sulfonamide
CID 47364000
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide
CID 102692565
N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692953
9-chloro-4,5-dihydro-1H-[1]benzothiepino[4,5-d]pyrazole 6,6-dioxide
CID 20186415
8-Chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole 5,5-dioxide
CID 20186432
5-[3-chloro-3-(3-chlorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174314047
3-(3-chlorophenyl)-2-(1H-pyrazol-5-ylsulfonylmethyl)prop-2-en-1-amine
CID 174316137
5-[2-chloro-3-(3-chlorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174327218
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-4-sulfonamide
CID 47266064
N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-4-sulfonamide
CID 47363945
6-chloro-N-(1H-pyrazol-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54897055

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide (CID 102692643) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCSc2ccc(Cl)cc21)c1ccn[nH]1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WSQNXQRMYZUOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S2/c13-8-1-2-11-9(7-8)10(4-6-19-11)16-20(17,18)12-3-5-14-15-12/h1-3,5,7,10,16H,4,6H2,(H,14,15).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 329.83 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).