N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C20H22N2O3S — CID 121084753

IUPACN-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C20H22N2O3S/c1-2-6-17-9-11-20(12-10-17)26(23,24)22(16-19-8-5-14-25-19)15-18-7-3-4-13-21-18/h3-5,7-14H,2,6,15-16H2,1H3
InChIKeyCXKQCNVZXQDPDM-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.02
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 121084753) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID121084753
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C20H22N2O3S/c1-2-6-17-9-11-20(12-10-17)26(23,24)22(16-19-8-5-14-25-19)15-18-7-3-4-13-21-18/h3-5,7-14H,2,6,15-16H2,1H3
InChIKeyCXKQCNVZXQDPDM-UHFFFAOYSA-N
XLogP4.02
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084763
1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
CID 655016
2,6-difluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906808
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084747
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 121084753) is N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCCc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is CXKQCNVZXQDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-6-17-9-11-20(12-10-17)26(23,24)22(16-19-8-5-14-25-19)15-18-7-3-4-13-21-18/h3-5,7-14H,2,6,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 121084753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).