4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide

C14H20N2O2S — CID 43742541

IUPAC4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-15-19(17,18)13-8-6-12(7-9-13)16-14(10-2-3-10)11-4-5-11/h6-11,14-16H,2-5H2,1H3
InChIKeyLPDLIZXEHNDQMT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.20
Rot. Bonds6

About 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide

4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide (PubChem CID 43742541) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
PubChem CID43742541
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-15-19(17,18)13-8-6-12(7-9-13)16-14(10-2-3-10)11-4-5-11/h6-11,14-16H,2-5H2,1H3
InChIKeyLPDLIZXEHNDQMT-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
CID 61481014
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
N-(dicyclopropylmethyl)-4-nitroaniline
CID 43425665
N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
CID 43742532
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide
CID 43790318
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
N-(dicyclopropylmethyl)-3-methylsulfonylaniline
CID 54861516
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide (CID 43742541) is 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C2CC2)C2CC2)cc1.
What is the InChIKey of 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide?
The InChIKey is LPDLIZXEHNDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-19(17,18)13-8-6-12(7-9-13)16-14(10-2-3-10)11-4-5-11/h6-11,14-16H,2-5H2,1H3.
What are the key properties of 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide?
4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43742541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).