N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide

C11H14Cl2N2O3S — CID 60699230

IUPACN-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
SMILESCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c1-11(2,3)15-10(16)6-4-9(19(14,17)18)8(13)5-7(6)12/h4-5H,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyZWADRMPNUIVRBH-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.17
Rot. Bonds2

About N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide

N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide (PubChem CID 60699230) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
PubChem CID60699230
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC NameN-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
SMILESCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c1-11(2,3)15-10(16)6-4-9(19(14,17)18)8(13)5-7(6)12/h4-5H,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyZWADRMPNUIVRBH-UHFFFAOYSA-N
XLogP2.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
CID 65375638
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126508709
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703
2,4-dichloro-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
CID 19577340
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide?
The IUPAC name of N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide (CID 60699230) is N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide.
What is the SMILES notation for N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide?
The canonical SMILES for N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide is CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide?
The InChIKey is ZWADRMPNUIVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-11(2,3)15-10(16)6-4-9(19(14,17)18)8(13)5-7(6)12/h4-5H,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide?
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide has a molecular weight of 325.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide is sourced from PubChem (CID 60699230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).