N-butyl-4-iodo-N-methylbenzenesulfonamide

C11H16INO2S — CID 4992197

IUPACN-butyl-4-iodo-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H16INO2S/c1-3-4-9-13(2)16(14,15)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyKRFQYCDUBRVFHO-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.71
Rot. Bonds5

About N-butyl-4-iodo-N-methylbenzenesulfonamide

N-butyl-4-iodo-N-methylbenzenesulfonamide (PubChem CID 4992197) has the molecular formula C11H16INO2S and a molecular weight of 353.23 g/mol. Its IUPAC name is N-butyl-4-iodo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-iodo-N-methylbenzenesulfonamide
PubChem CID4992197
Molecular FormulaC11H16INO2S
Molecular Weight353.23 g/mol
Exact Mass352.99
IUPAC NameN-butyl-4-iodo-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H16INO2S/c1-3-4-9-13(2)16(14,15)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyKRFQYCDUBRVFHO-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-(3-hydroxybutyl)-4-iodo-N-methylbenzenesulfonamide
CID 113320165
N-(cyanomethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3870406
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
CID 90862330
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-iodo-N-methylbenzenesulfonamide?
The IUPAC name of N-butyl-4-iodo-N-methylbenzenesulfonamide (CID 4992197) is N-butyl-4-iodo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-iodo-N-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-iodo-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-butyl-4-iodo-N-methylbenzenesulfonamide?
The InChIKey is KRFQYCDUBRVFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2S/c1-3-4-9-13(2)16(14,15)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-4-iodo-N-methylbenzenesulfonamide?
N-butyl-4-iodo-N-methylbenzenesulfonamide has a molecular weight of 353.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-iodo-N-methylbenzenesulfonamide is sourced from PubChem (CID 4992197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).