N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide

C12H18N2O2S — CID 62149902

IUPACN-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-13-11-5-7-12(8-6-11)17(15,16)14-9-10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3
InChIKeyDNTMCJQKKAMMIO-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.81
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide

N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 62149902) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
PubChem CID62149902
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-2-13-11-5-7-12(8-6-11)17(15,16)14-9-10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3
InChIKeyDNTMCJQKKAMMIO-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

4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
CID 12072017
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide (CID 62149902) is N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is DNTMCJQKKAMMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-13-11-5-7-12(8-6-11)17(15,16)14-9-10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide?
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide 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 N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62149902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).