N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C18H25N3O3S — CID 22583158

IUPACN-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCN3CCCCCC3)cc2)co1
InChIInChI=1S/C18H25N3O3S/c1-15-20-18(14-24-15)16-6-8-17(9-7-16)25(22,23)19-10-13-21-11-4-2-3-5-12-21/h6-9,14,19H,2-5,10-13H2,1H3
InChIKeyBADQUBLBEFFIQP-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 22583158) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID22583158
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCN3CCCCCC3)cc2)co1
InChIInChI=1S/C18H25N3O3S/c1-15-20-18(14-24-15)16-6-8-17(9-7-16)25(22,23)19-10-13-21-11-4-2-3-5-12-21/h6-9,14,19H,2-5,10-13H2,1H3
InChIKeyBADQUBLBEFFIQP-UHFFFAOYSA-N
XLogP2.80
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 119987178
4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 143457102
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416173
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583083
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
4-(2-methyl-1,3-oxazol-4-yl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289276
N-(3-chloro-2-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583093
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 126802730
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 91624416

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 22583158) is N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCCN3CCCCCC3)cc2)co1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is BADQUBLBEFFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-15-20-18(14-24-15)16-6-8-17(9-7-16)25(22,23)19-10-13-21-11-4-2-3-5-12-21/h6-9,14,19H,2-5,10-13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22583158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).