N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide

C16H25NO2S — CID 55353366

IUPACN-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-4-11-17(12-14-5-6-14)20(18,19)16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyJUCFJIZOOGCYDX-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.62
Rot. Bonds7

About N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide

N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 55353366) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID55353366
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-4-11-17(12-14-5-6-14)20(18,19)16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyJUCFJIZOOGCYDX-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
4-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 61440025
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70775255
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
2-[(2R)-2-aminopropanoyl]-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70749130
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide (CID 55353366) is N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is JUCFJIZOOGCYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-11-17(12-14-5-6-14)20(18,19)16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 55353366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).