N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide

C18H29NO2S — CID 146213720

IUPACN-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(C(CC)CC)cc1
InChIInChI=1S/C18H29NO2S/c1-4-13-19(14-15-7-8-15)22(20,21)18-11-9-17(10-12-18)16(5-2)6-3/h9-12,15-16H,4-8,13-14H2,1-3H3
InChIKeyXRDGTFHSYGSCDI-UHFFFAOYSA-N
MW323.50 g/mol
LogP4.40
Rot. Bonds9

About N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide

N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide (PubChem CID 146213720) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
PubChem CID146213720
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC NameN-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(C(CC)CC)cc1
InChIInChI=1S/C18H29NO2S/c1-4-13-19(14-15-7-8-15)22(20,21)18-11-9-17(10-12-18)16(5-2)6-3/h9-12,15-16H,4-8,13-14H2,1-3H3
InChIKeyXRDGTFHSYGSCDI-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
4-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 61440025
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70775255

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide (CID 146213720) is N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc(C(CC)CC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide?
The InChIKey is XRDGTFHSYGSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-4-13-19(14-15-7-8-15)22(20,21)18-11-9-17(10-12-18)16(5-2)6-3/h9-12,15-16H,4-8,13-14H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide has a molecular weight of 323.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 146213720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).