2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide

C19H18ClN3O5S — CID 26873876

IUPAC2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)oc2ccccc12
InChIInChI=1S/C19H18ClN3O5S/c1-11-13-6-4-5-7-15(13)28-17(11)19(25)22-21-18(24)12-8-9-14(20)16(10-12)29(26,27)23(2)3/h4-10H,1-3H3,(H,21,24)(H,22,25)
InChIKeyJDRDQWSYZLKWNF-UHFFFAOYSA-N
MW435.89 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide

2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 26873876) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID26873876
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)oc2ccccc12
InChIInChI=1S/C19H18ClN3O5S/c1-11-13-6-4-5-7-15(13)28-17(11)19(25)22-21-18(24)12-8-9-14(20)16(10-12)29(26,27)23(2)3/h4-10H,1-3H3,(H,21,24)(H,22,25)
InChIKeyJDRDQWSYZLKWNF-UHFFFAOYSA-N
XLogP2.72
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 55389871
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide
CID 127266645
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 27685815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 26873876) is 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide is Cc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)oc2ccccc12.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is JDRDQWSYZLKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-11-13-6-4-5-7-15(13)28-17(11)19(25)22-21-18(24)12-8-9-14(20)16(10-12)29(26,27)23(2)3/h4-10H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 435.89 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26873876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).