4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide

C17H22ClNO4S — CID 69466339

IUPAC4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide
SMILESC[C@@H](CCCO)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO4S/c1-14(4-2-10-20)12-19(13-16-5-3-11-23-16)24(21,22)17-8-6-15(18)7-9-17/h3,5-9,11,14,20H,2,4,10,12-13H2,1H3/t14-/m0/s1
InChIKeyHWPBMTIRBKFWBV-AWEZNQCLSA-N
MW371.89 g/mol
LogP3.53
Rot. Bonds9

About 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide

4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide (PubChem CID 69466339) has the molecular formula C17H22ClNO4S and a molecular weight of 371.89 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide
PubChem CID69466339
Molecular FormulaC17H22ClNO4S
Molecular Weight371.89 g/mol
Exact Mass371.10
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide
SMILESC[C@@H](CCCO)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO4S/c1-14(4-2-10-20)12-19(13-16-5-3-11-23-16)24(21,22)17-8-6-15(18)7-9-17/h3,5-9,11,14,20H,2,4,10,12-13H2,1H3/t14-/m0/s1
InChIKeyHWPBMTIRBKFWBV-AWEZNQCLSA-N
XLogP3.53
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2133941
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
4-chloro-N-(furan-2-ylmethyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]benzenesulfonamide
CID 18590176
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide (CID 69466339) is 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide is C[C@@H](CCCO)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide?
The InChIKey is HWPBMTIRBKFWBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22ClNO4S/c1-14(4-2-10-20)12-19(13-16-5-3-11-23-16)24(21,22)17-8-6-15(18)7-9-17/h3,5-9,11,14,20H,2,4,10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide?
4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide has a molecular weight of 371.89 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide is sourced from PubChem (CID 69466339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).