4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide

C12H20N2O2S — CID 62149672

IUPAC4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-13-11-5-7-12(8-6-11)17(15,16)14-9-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyIOKRWGNLIDSNON-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.05
Rot. Bonds6

About 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide

4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 62149672) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID62149672
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-13-11-5-7-12(8-6-11)17(15,16)14-9-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyIOKRWGNLIDSNON-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
CID 63002794
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
N-benzyl-4-(2-methylpropylamino)benzenesulfonamide
CID 735448

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide (CID 62149672) is 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is IOKRWGNLIDSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-13-11-5-7-12(8-6-11)17(15,16)14-9-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide?
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 62149672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).