N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide

C19H15ClFN3O5S — CID 24536134

IUPACN-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H15ClFN3O5S/c1-11-15(8-9-29-11)19(26)23-22-18(25)12-2-7-16(20)17(10-12)24-30(27,28)14-5-3-13(21)4-6-14/h2-10,24H,1H3,(H,22,25)(H,23,26)
InChIKeyFITVGHSJKTVELD-UHFFFAOYSA-N
MW451.86 g/mol
LogP3.26
Rot. Bonds5

About N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 24536134) has the molecular formula C19H15ClFN3O5S and a molecular weight of 451.86 g/mol. Its IUPAC name is N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID24536134
Molecular FormulaC19H15ClFN3O5S
Molecular Weight451.86 g/mol
Exact Mass451.04
IUPAC NameN-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H15ClFN3O5S/c1-11-15(8-9-29-11)19(26)23-22-18(25)12-2-7-16(20)17(10-12)24-30(27,28)14-5-3-13(21)4-6-14/h2-10,24H,1H3,(H,22,25)(H,23,26)
InChIKeyFITVGHSJKTVELD-UHFFFAOYSA-N
XLogP3.26
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.86
LogP ≤ 53.26
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-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 27172570
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2548852
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide (CID 24536134) is N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide is Cc1occc1C(=O)NNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is FITVGHSJKTVELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O5S/c1-11-15(8-9-29-11)19(26)23-22-18(25)12-2-7-16(20)17(10-12)24-30(27,28)14-5-3-13(21)4-6-14/h2-10,24H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 451.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 24536134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).