N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

C16H21FN4O3S — CID 86861979

IUPACN-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)n1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H21FN4O3S/c1-16(2,3)21-11-13(10-18-21)20-15(22)8-9-19-25(23,24)14-6-4-12(17)5-7-14/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,22)
InChIKeySWHSGGQWOBTHJN-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.08
Rot. Bonds6

About N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 86861979) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID86861979
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)n1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H21FN4O3S/c1-16(2,3)21-11-13(10-18-21)20-15(22)8-9-19-25(23,24)14-6-4-12(17)5-7-14/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,22)
InChIKeySWHSGGQWOBTHJN-UHFFFAOYSA-N
XLogP2.08
TPSA93.09 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-(1-tert-butylpyrazol-4-yl)pentanamide
CID 86860471
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
N-(1-benzylpyrazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55947329
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 86861979) is N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is CC(C)(C)n1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is SWHSGGQWOBTHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-16(2,3)21-11-13(10-18-21)20-15(22)8-9-19-25(23,24)14-6-4-12(17)5-7-14/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 368.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 86861979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).