N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide

C14H20Cl2N4O2S — CID 118068187

IUPACN-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide
SMILESO=S(=O)(NCC1CC1)N1CCCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C14H20Cl2N4O2S/c15-12-9-17-10-13(16)14(12)19-4-1-5-20(7-6-19)23(21,22)18-8-11-2-3-11/h9-11,18H,1-8H2
InChIKeyADVSDGSYUYRHCZ-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.14
Rot. Bonds5

About N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide

N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide (PubChem CID 118068187) has the molecular formula C14H20Cl2N4O2S and a molecular weight of 379.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide
PubChem CID118068187
Molecular FormulaC14H20Cl2N4O2S
Molecular Weight379.31 g/mol
Exact Mass378.07
IUPAC NameN-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide
SMILESO=S(=O)(NCC1CC1)N1CCCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C14H20Cl2N4O2S/c15-12-9-17-10-13(16)14(12)19-4-1-5-20(7-6-19)23(21,22)18-8-11-2-3-11/h9-11,18H,1-8H2
InChIKeyADVSDGSYUYRHCZ-UHFFFAOYSA-N
XLogP2.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide 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

1-[[(2R,8aS)-1,2,3,4,4a,8a-hexahydronaphthalen-2-yl]sulfonyl]-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane
CID 143565905
4-(3,5-dichloro-4-pyridinyl)-N-(4-fluoro-3-methylphenyl)-1,4-diazepane-1-sulfonamide
CID 118326980
1-(3,5-dichloro-4-pyridinyl)-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 24852724
1-(3,5-dichloro-4-pyridinyl)-4-(3-methylphenyl)sulfonyl-1,4-diazepane
CID 24852723
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
2-[[4-(3,5-dichloro-4-pyridinyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile
CID 24852838
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
N-[(3-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 103270314
N-[(3-aminocyclobutyl)methyl]piperidine-1-sulfonamide
CID 66005410
1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidin-4-amine
CID 121224439
4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one;4-(cyclohexylmethylamino)-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one
CID 161046088
N-benzyl-4-pyridin-4-yl-1,4-diazepane-1-sulfonamide
CID 56864426

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide (CID 118068187) is N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide is O=S(=O)(NCC1CC1)N1CCCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide?
The InChIKey is ADVSDGSYUYRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O2S/c15-12-9-17-10-13(16)14(12)19-4-1-5-20(7-6-19)23(21,22)18-8-11-2-3-11/h9-11,18H,1-8H2.
What are the key properties of N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide?
N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide has a molecular weight of 379.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 118068187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).