N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide

C14H22N2O2S — CID 63996191

IUPACN-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC(C)CC2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-15-13-6-8-14(9-7-13)19(17,18)16-11(2)10-12-4-5-12/h6-9,11-12,15-16H,3-5,10H2,1-2H3
InChIKeyHGEZEEMEQBDGER-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.59
Rot. Bonds7

About N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide

N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide (PubChem CID 63996191) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
PubChem CID63996191
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC(C)CC2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-15-13-6-8-14(9-7-13)19(17,18)16-11(2)10-12-4-5-12/h6-9,11-12,15-16H,3-5,10H2,1-2H3
InChIKeyHGEZEEMEQBDGER-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 63996785
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-(1-cyclopropylpropan-2-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 63995589
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid
CID 107090100

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide (CID 63996191) is N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NC(C)CC2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is HGEZEEMEQBDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-15-13-6-8-14(9-7-13)19(17,18)16-11(2)10-12-4-5-12/h6-9,11-12,15-16H,3-5,10H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide?
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 63996191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).