N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide

C13H22N2O4S2 — CID 62142912

IUPACN-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC
InChIInChI=1S/C13H22N2O4S2/c1-6-15(10(2)3)21(18,19)13-9-11(20(5,16)17)7-8-12(13)14-4/h7-10,14H,6H2,1-5H3
InChIKeyKPWDOMGQAPBWQG-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.55
Rot. Bonds6

About N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide

N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 62142912) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
PubChem CID62142912
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC NameN-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC
InChIInChI=1S/C13H22N2O4S2/c1-6-15(10(2)3)21(18,19)13-9-11(20(5,16)17)7-8-12(13)14-4/h7-10,14H,6H2,1-5H3
InChIKeyKPWDOMGQAPBWQG-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
N-butan-2-yl-N-ethyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62144145
N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 43455184
2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide
CID 62162294
N-ethyl-4-(ethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62144793
N-methyl-5-methylsulfonyl-2-propan-2-ylaniline
CID 166462080
2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
CID 62150190
N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
CID 62145303
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
(1S)-N'-[2,4-bis(methylsulfonyl)phenyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 25329889
2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
CID 61036669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide (CID 62142912) is N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC.
What is the InChIKey of N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KPWDOMGQAPBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-6-15(10(2)3)21(18,19)13-9-11(20(5,16)17)7-8-12(13)14-4/h7-10,14H,6H2,1-5H3.
What are the key properties of N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide?
N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62142912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).