N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide

C12H18N2O2S — CID 43264442

IUPACN-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-14(11-6-7-11)17(15,16)12-8-4-10(13-2)5-9-12/h4-5,8-9,11,13H,3,6-7H2,1-2H3
InChIKeyNZYBGKQYDDMAOK-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.90
Rot. Bonds5

About N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide

N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide (PubChem CID 43264442) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
PubChem CID43264442
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-14(11-6-7-11)17(15,16)12-8-4-10(13-2)5-9-12/h4-5,8-9,11,13H,3,6-7H2,1-2H3
InChIKeyNZYBGKQYDDMAOK-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 64522429
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide (CID 43264442) is N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is NZYBGKQYDDMAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-14(11-6-7-11)17(15,16)12-8-4-10(13-2)5-9-12/h4-5,8-9,11,13H,3,6-7H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide?
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43264442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).