N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide

C10H16ClN3O2S — CID 84591390

IUPACN-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CN)cnc1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-7-4-8(5-13-9(7)11)17(15,16)14-10(2,3)6-12/h4-5,14H,6,12H2,1-3H3
InChIKeySZXUCULZLPDZAG-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.06
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide (PubChem CID 84591390) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide
PubChem CID84591390
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CN)cnc1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-7-4-8(5-13-9(7)11)17(15,16)14-10(2,3)6-12/h4-5,14H,6,12H2,1-3H3
InChIKeySZXUCULZLPDZAG-UHFFFAOYSA-N
XLogP1.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 822454
6-chloro-N-(3-pyridinylmethyl)-3-pyridinesulfonamide
CID 822442
5,6-dichloro-N,N-diisobutyl-3-pyridinesulfonamide
CID 826892
N-(tert-butyl)-5,6-dichloro-3-pyridinesulfonamide
CID 826903
5,6-dichloro-N,N-diethyl-3-pyridinesulfonamide
CID 826913
N-benzyl-6-chloro-N-methyl-3-pyridinesulfonamide
CID 830476
6-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-sulfonamide
CID 4968561

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide (CID 84591390) is N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)CN)cnc1Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide?
The InChIKey is SZXUCULZLPDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-7-4-8(5-13-9(7)11)17(15,16)14-10(2,3)6-12/h4-5,14H,6,12H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 84591390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).