N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide

C14H23NO2S — CID 19682071

IUPACN-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C14H23NO2S/c1-5-7-12-8-10-13(11-9-12)18(16,17)15-14(3,4)6-2/h8-11,15H,5-7H2,1-4H3
InChIKeyALQAOVDKHLBQLC-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.11
Rot. Bonds6

About N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide

N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide (PubChem CID 19682071) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
PubChem CID19682071
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C14H23NO2S/c1-5-7-12-8-10-13(11-9-12)18(16,17)15-14(3,4)6-2/h8-11,15H,5-7H2,1-4H3
InChIKeyALQAOVDKHLBQLC-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 106031454
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031297
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
N-(2-methylbutan-2-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 47425286
2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid
CID 43361662
1-tert-butylsulfonyl-4-propylbenzene
CID 20680785

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide (CID 19682071) is N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NC(C)(C)CC)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide?
The InChIKey is ALQAOVDKHLBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-7-12-8-10-13(11-9-12)18(16,17)15-14(3,4)6-2/h8-11,15H,5-7H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide?
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 19682071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).