4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide

C12H18N2O2S — CID 43453957

IUPAC4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-14-17(15,16)12-7-5-11(6-8-12)13-9-10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3
InChIKeyZPLAYSCOROTIAE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.81
Rot. Bonds6

About 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide

4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide (PubChem CID 43453957) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
PubChem CID43453957
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-14-17(15,16)12-7-5-11(6-8-12)13-9-10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3
InChIKeyZPLAYSCOROTIAE-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82836544
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide (CID 43453957) is 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide?
The InChIKey is ZPLAYSCOROTIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-14-17(15,16)12-7-5-11(6-8-12)13-9-10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3.
What are the key properties of 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide?
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43453957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).