2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide

C14H14ClN3O5S — CID 4845850

IUPAC2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)o1
InChIInChI=1S/C14H14ClN3O5S/c1-7-5-10(8(2)23-7)14(20)18-17-13(19)9-3-4-11(15)12(6-9)24(16,21)22/h3-6H,1-2H3,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyJYUDJFKIMDOKTH-UHFFFAOYSA-N
MW371.80 g/mol
LogP1.27
Rot. Bonds3

About 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide

2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 4845850) has the molecular formula C14H14ClN3O5S and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID4845850
Molecular FormulaC14H14ClN3O5S
Molecular Weight371.80 g/mol
Exact Mass371.03
IUPAC Name2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)o1
InChIInChI=1S/C14H14ClN3O5S/c1-7-5-10(8(2)23-7)14(20)18-17-13(19)9-3-4-11(15)12(6-9)24(16,21)22/h3-6H,1-2H3,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyJYUDJFKIMDOKTH-UHFFFAOYSA-N
XLogP1.27
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 51.27
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

4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
N'-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 55597383
4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26895477
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
2-chloro-5-[[3-(4-ethylphenyl)propanoylamino]carbamoyl]benzenesulfonamide
CID 9428545
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 4845850) is 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide is Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)o1.
What is the InChIKey of 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is JYUDJFKIMDOKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S/c1-7-5-10(8(2)23-7)14(20)18-17-13(19)9-3-4-11(15)12(6-9)24(16,21)22/h3-6H,1-2H3,(H,17,19)(H,18,20)(H2,16,21,22).
What are the key properties of 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 371.80 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 4845850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).