N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide

C16H21FN4O3S — CID 72886001

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)c1C
InChIInChI=1S/C16H21FN4O3S/c1-4-13-10(2)20-21(11(13)3)8-7-19-16(22)14-9-12(25(18,23)24)5-6-15(14)17/h5-6,9H,4,7-8H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyLXFPHVVRRVDDLZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide (PubChem CID 72886001) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide
PubChem CID72886001
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)c1C
InChIInChI=1S/C16H21FN4O3S/c1-4-13-10(2)20-21(11(13)3)8-7-19-16(22)14-9-12(25(18,23)24)5-6-15(14)17/h5-6,9H,4,7-8H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyLXFPHVVRRVDDLZ-UHFFFAOYSA-N
XLogP1.28
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
(3,5-Dimethylpyrazol-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2130720
[4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone
CID 7216890
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895438
N-[4-(diethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895539
N-[4-(dipropylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895646
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 25163291
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 155556415
(3,5-Dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 978267

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide (CID 72886001) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide is CCc1c(C)nn(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is LXFPHVVRRVDDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-4-13-10(2)20-21(11(13)3)8-7-19-16(22)14-9-12(25(18,23)24)5-6-15(14)17/h5-6,9H,4,7-8H2,1-3H3,(H,19,22)(H2,18,23,24).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 368.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 72886001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).