N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

C19H18FN3O3S2 — CID 56503522

IUPACN-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
SMILESCc1c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)sc2ccc(F)cc12
InChIInChI=1S/C19H18FN3O3S2/c1-11-16-10-12(20)2-9-17(16)27-18(11)19(24)22-21-13-5-7-15(8-6-13)28(25,26)23-14-3-4-14/h2,5-10,14,21,23H,3-4H2,1H3,(H,22,24)
InChIKeyWGTIVPKPQRSYNB-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.55
Rot. Bonds6

About N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide (PubChem CID 56503522) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
PubChem CID56503522
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC NameN-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
SMILESCc1c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)sc2ccc(F)cc12
InChIInChI=1S/C19H18FN3O3S2/c1-11-16-10-12(20)2-9-17(16)27-18(11)19(24)22-21-13-5-7-15(8-6-13)28(25,26)23-14-3-4-14/h2,5-10,14,21,23H,3-4H2,1H3,(H,22,24)
InChIKeyWGTIVPKPQRSYNB-UHFFFAOYSA-N
XLogP3.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 167769744
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
CID 56503129
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
CID 56502755
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801114
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
CID 56503137
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
CID 56566087
3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1015028

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide (CID 56503522) is N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide is Cc1c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)sc2ccc(F)cc12.
What is the InChIKey of N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The InChIKey is WGTIVPKPQRSYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-11-16-10-12(20)2-9-17(16)27-18(11)19(24)22-21-13-5-7-15(8-6-13)28(25,26)23-14-3-4-14/h2,5-10,14,21,23H,3-4H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide has a molecular weight of 419.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56503522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).