3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide

C21H27ClN2O3S — CID 39833364

IUPAC3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-13-10-16(21(3,4)5)11-14(2)19(13)28(26,27)23-18-12-15(8-9-17(18)22)20(25)24(6)7/h8-12,23H,1-7H3
InChIKeyXIGUQNZMRUPSGS-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.76
Rot. Bonds4

About 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide

3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 39833364) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
PubChem CID39833364
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-13-10-16(21(3,4)5)11-14(2)19(13)28(26,27)23-18-12-15(8-9-17(18)22)20(25)24(6)7/h8-12,23H,1-7H3
InChIKeyXIGUQNZMRUPSGS-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
CID 39833326
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 154839852
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
4-chloro-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 62999668
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169370448
N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 60534815
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide (CID 39833364) is 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is XIGUQNZMRUPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-13-10-16(21(3,4)5)11-14(2)19(13)28(26,27)23-18-12-15(8-9-17(18)22)20(25)24(6)7/h8-12,23H,1-7H3.
What are the key properties of 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 422.98 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 39833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).