5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide

C19H24ClNO3S — CID 66485819

IUPAC5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H24ClNO3S/c1-5-24-17-11-10-15(19(2,3)4)12-18(17)25(22,23)21-13-14-8-6-7-9-16(14)20/h6-12,21H,5,13H2,1-4H3
InChIKeyUTMPYRVNXKZZGQ-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.51
Rot. Bonds6

About 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide

5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide (PubChem CID 66485819) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
PubChem CID66485819
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H24ClNO3S/c1-5-24-17-11-10-15(19(2,3)4)12-18(17)25(22,23)21-13-14-8-6-7-9-16(14)20/h6-12,21H,5,13H2,1-4H3
InChIKeyUTMPYRVNXKZZGQ-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
N-[(2-chlorophenyl)methyl]-4-methyl-5-propan-2-yl-2-propoxybenzenesulfonamide
CID 146095953
5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
CID 7574330
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
5-tert-butyl-N-[2-[4-(5-tert-butyl-2-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-ethoxybenzenesulfonamide
CID 91670274
(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate
CID 9160607
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
CID 2234187
4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3753093
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide (CID 66485819) is 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide?
The InChIKey is UTMPYRVNXKZZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-5-24-17-11-10-15(19(2,3)4)12-18(17)25(22,23)21-13-14-8-6-7-9-16(14)20/h6-12,21H,5,13H2,1-4H3.
What are the key properties of 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide?
5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 66485819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).