(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide

C13H19ClN2O6S2 — CID 100768326

IUPAC(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide
SMILESCOC[C@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H19ClN2O6S2/c1-9(8-22-4)13(17)15-23(18,19)12-7-10(5-6-11(12)14)24(20,21)16(2)3/h5-7,9H,8H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyRUROHNNKJPYUOF-VIFPVBQESA-N
MW398.89 g/mol
LogP0.68
Rot. Bonds7

About (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide

(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide (PubChem CID 100768326) has the molecular formula C13H19ClN2O6S2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide
PubChem CID100768326
Molecular FormulaC13H19ClN2O6S2
Molecular Weight398.89 g/mol
Exact Mass398.04
IUPAC Name(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide
SMILESCOC[C@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H19ClN2O6S2/c1-9(8-22-4)13(17)15-23(18,19)12-7-10(5-6-11(12)14)24(20,21)16(2)3/h5-7,9H,8H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyRUROHNNKJPYUOF-VIFPVBQESA-N
XLogP0.68
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 119052458
3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 86657661
(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide
CID 96563455
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878742
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide?
The IUPAC name of (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide (CID 100768326) is (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide is COC[C@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide?
The InChIKey is RUROHNNKJPYUOF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O6S2/c1-9(8-22-4)13(17)15-23(18,19)12-7-10(5-6-11(12)14)24(20,21)16(2)3/h5-7,9H,8H2,1-4H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide?
(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide has a molecular weight of 398.89 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 100768326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).