2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide

C19H22Cl2N2O3S — CID 2902682

IUPAC2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-19(2,3)22-18(24)13-23(12-14-9-10-16(20)17(21)11-14)27(25,26)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyIFNDHASAFJWQIV-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.10
Rot. Bonds6

About 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide

2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide (PubChem CID 2902682) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide
PubChem CID2902682
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-19(2,3)22-18(24)13-23(12-14-9-10-16(20)17(21)11-14)27(25,26)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyIFNDHASAFJWQIV-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide (CID 2902682) is 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide?
The InChIKey is IFNDHASAFJWQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-19(2,3)22-18(24)13-23(12-14-9-10-16(20)17(21)11-14)27(25,26)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide?
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide has a molecular weight of 429.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 2902682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).