4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C16H27NO2S — CID 19682262

IUPAC4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-6-15-7-9-16(10-8-15)20(18,19)17(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyHVRGMYPEEZCBLT-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.55
Rot. Bonds7

About 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide

4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 19682262) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID19682262
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-6-15-7-9-16(10-8-15)20(18,19)17(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyHVRGMYPEEZCBLT-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
4-(hydroxymethyl)-N-[(2S)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 71231578
2-[(4-ethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79261866

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 19682262) is 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is HVRGMYPEEZCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-15-7-9-16(10-8-15)20(18,19)17(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3.
What are the key properties of 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 297.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 19682262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).