3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide

C10H15ClN4O3S — CID 106098350

IUPAC3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H15ClN4O3S/c1-10(2,4-8(12)16)15-19(17,18)6-3-7(11)9(13)14-5-6/h3,5,15H,4H2,1-2H3,(H2,12,16)(H2,13,14)
InChIKeyKXATVDNTFWKBAT-UHFFFAOYSA-N
MW306.78 g/mol
LogP0.25
Rot. Bonds5

About 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide

3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106098350) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
PubChem CID106098350
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H15ClN4O3S/c1-10(2,4-8(12)16)15-19(17,18)6-3-7(11)9(13)14-5-6/h3,5,15H,4H2,1-2H3,(H2,12,16)(H2,13,14)
InChIKeyKXATVDNTFWKBAT-UHFFFAOYSA-N
XLogP0.25
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 64601109
3-[[4-(aminomethyl)-3-chlorophenyl]sulfonylamino]-3-methylbutanamide
CID 106096174
3-[(4-carbamothioyl-3-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106096774
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
6-amino-5-chloro-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83023337
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106098233
N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide
CID 84591390
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 64602641

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide (CID 106098350) is 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is KXATVDNTFWKBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-10(2,4-8(12)16)15-19(17,18)6-3-7(11)9(13)14-5-6/h3,5,15H,4H2,1-2H3,(H2,12,16)(H2,13,14).
What are the key properties of 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide?
3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 306.78 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106098350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).