4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

C17H19ClN2O4S — CID 90521872

IUPAC4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O4S/c18-15-1-3-16(4-2-15)25(22,23)19-11-13-5-8-20(9-6-13)17(21)14-7-10-24-12-14/h1-4,7,10,12-13,19H,5-6,8-9,11H2
InChIKeyFWUSOMSQQKHAAH-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.76
Rot. Bonds5

About 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 90521872) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID90521872
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O4S/c18-15-1-3-16(4-2-15)25(22,23)19-11-13-5-8-20(9-6-13)17(21)14-7-10-24-12-14/h1-4,7,10,12-13,19H,5-6,8-9,11H2
InChIKeyFWUSOMSQQKHAAH-UHFFFAOYSA-N
XLogP2.76
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
2-ethoxy-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521882
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
4-chloro-N-[[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 146423705
4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
4-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007398
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24660116
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 90521872) is 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is FWUSOMSQQKHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-15-1-3-16(4-2-15)25(22,23)19-11-13-5-8-20(9-6-13)17(21)14-7-10-24-12-14/h1-4,7,10,12-13,19H,5-6,8-9,11H2.
What are the key properties of 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90521872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).