N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C16H22Cl2N2O3S — CID 43004758

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C16H22Cl2N2O3S/c1-4-5-10-20(3)24(22,23)13-8-6-12(7-9-13)19-14(21)15(2)11-16(15,17)18/h6-9H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyVKNMJJJYJIKVPL-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.63
Rot. Bonds7

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 43004758) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID43004758
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C16H22Cl2N2O3S/c1-4-5-10-20(3)24(22,23)13-8-6-12(7-9-13)19-14(21)15(2)11-16(15,17)18/h6-9H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyVKNMJJJYJIKVPL-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7733395
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
1-[4-[butyl(methyl)sulfamoyl]phenyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 47081340
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7948713
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 43004758) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is VKNMJJJYJIKVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-4-5-10-20(3)24(22,23)13-8-6-12(7-9-13)19-14(21)15(2)11-16(15,17)18/h6-9H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43004758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).