N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide

C19H24ClNO3S — CID 22275595

IUPACN-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24ClNO3S/c1-4-5-15(3)21(19-12-17(20)9-8-16(19)13-22)25(23,24)18-10-6-14(2)7-11-18/h6-12,15,22H,4-5,13H2,1-3H3
InChIKeyYEGVLLQDOGYWDQ-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.52
Rot. Bonds7

About N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide

N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 22275595) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID22275595
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC NameN-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24ClNO3S/c1-4-5-15(3)21(19-12-17(20)9-8-16(19)13-22)25(23,24)18-10-6-14(2)7-11-18/h6-12,15,22H,4-5,13H2,1-3H3
InChIKeyYEGVLLQDOGYWDQ-UHFFFAOYSA-N
XLogP4.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide (CID 22275595) is N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is YEGVLLQDOGYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-4-5-15(3)21(19-12-17(20)9-8-16(19)13-22)25(23,24)18-10-6-14(2)7-11-18/h6-12,15,22H,4-5,13H2,1-3H3.
What are the key properties of N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide?
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22275595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).