2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride

C11H13BrClNO4S — CID 112602478

IUPAC2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
SMILESCC(C)OCC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO4S/c1-7(2)18-6-11(15)14-8-3-4-10(9(12)5-8)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWXJUETYCKAQADU-UHFFFAOYSA-N
MW370.65 g/mol
LogP2.74
Rot. Bonds5

About 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride

2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride (PubChem CID 112602478) has the molecular formula C11H13BrClNO4S and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
PubChem CID112602478
Molecular FormulaC11H13BrClNO4S
Molecular Weight370.65 g/mol
Exact Mass368.94
IUPAC Name2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
SMILESCC(C)OCC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO4S/c1-7(2)18-6-11(15)14-8-3-4-10(9(12)5-8)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWXJUETYCKAQADU-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43210055
2-methoxy-5-methyl-3-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 115949346
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
2-bromo-4-(cycloheptanecarbonylamino)benzenesulfonyl chloride
CID 62586848
methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112686654
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride (CID 112602478) is 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride is CC(C)OCC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
The InChIKey is WXJUETYCKAQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4S/c1-7(2)18-6-11(15)14-8-3-4-10(9(12)5-8)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride has a molecular weight of 370.65 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 112602478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).