5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine

C11H17ClN4O2S — CID 75441729

IUPAC5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
SMILESCN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1
InChIInChI=1S/C11H17ClN4O2S/c1-15-3-2-4-16(6-5-15)19(17,18)10-7-9(12)8-14-11(10)13/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyOZHVCHIIICVRQR-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.64
Rot. Bonds2

About 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine

5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine (PubChem CID 75441729) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
PubChem CID75441729
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
SMILESCN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1
InChIInChI=1S/C11H17ClN4O2S/c1-15-3-2-4-16(6-5-15)19(17,18)10-7-9(12)8-14-11(10)13/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyOZHVCHIIICVRQR-UHFFFAOYSA-N
XLogP0.64
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 126784700
4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 28542859
2-bromo-5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 62957756
4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 54888361
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
1-methyl-4-[(2-methyl-5-nitro-3-pyridinyl)sulfonyl]-1,4-diazepane
CID 162727731
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 75470337
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 129328651
5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515867

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine (CID 75441729) is 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine is CN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1.
What is the InChIKey of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
The InChIKey is OZHVCHIIICVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c1-15-3-2-4-16(6-5-15)19(17,18)10-7-9(12)8-14-11(10)13/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine has a molecular weight of 304.80 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine is sourced from PubChem (CID 75441729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).