4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

C22H28ClNO3S — CID 67366702

IUPAC4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESCC(C)C[C@H](CO)N(C1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClNO3S/c1-16(2)13-21(15-25)24(28(26,27)22-11-8-19(23)9-12-22)20-10-7-17-5-3-4-6-18(17)14-20/h3-6,8-9,11-12,16,20-21,25H,7,10,13-15H2,1-2H3/t20?,21-/m1/s1
InChIKeyYAUBCCDYFIZXSG-BPGUCPLFSA-N
MW421.99 g/mol
LogP4.30
Rot. Bonds7

About 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (PubChem CID 67366702) has the molecular formula C22H28ClNO3S and a molecular weight of 421.99 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
PubChem CID67366702
Molecular FormulaC22H28ClNO3S
Molecular Weight421.99 g/mol
Exact Mass421.15
IUPAC Name4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESCC(C)C[C@H](CO)N(C1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClNO3S/c1-16(2)13-21(15-25)24(28(26,27)22-11-8-19(23)9-12-22)20-10-7-17-5-3-4-6-18(17)14-20/h3-6,8-9,11-12,16,20-21,25H,7,10,13-15H2,1-2H3/t20?,21-/m1/s1
InChIKeyYAUBCCDYFIZXSG-BPGUCPLFSA-N
XLogP4.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-methylbutyl)benzenesulfonamide
CID 67368466
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 67368681
4-chloro-N-(2-chloro-3-phenylprop-2-enyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 87373691
N-[(Z)-2-bromo-3-phenylprop-2-enyl]-4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 87374153
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-[(E)-3-(3-methylphenyl)prop-2-enyl]benzenesulfonamide
CID 67369106
ethyl (E)-4-[(4-chlorophenyl)sulfonyl-(1-hydroxy-4-methylpentan-2-yl)amino]but-2-enoate
CID 67369690
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 127321753
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-methylsulfonylbenzenesulfonamide
CID 47071942
2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 54473061
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 47071943
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (CID 67366702) is 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is CC(C)C[C@H](CO)N(C1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The InChIKey is YAUBCCDYFIZXSG-BPGUCPLFSA-N. The full InChI is InChI=1S/C22H28ClNO3S/c1-16(2)13-21(15-25)24(28(26,27)22-11-8-19(23)9-12-22)20-10-7-17-5-3-4-6-18(17)14-20/h3-6,8-9,11-12,16,20-21,25H,7,10,13-15H2,1-2H3/t20?,21-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide has a molecular weight of 421.99 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 67366702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).