N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide

C14H15ClN2O3S — CID 63120987

IUPACN-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
SMILESNCCOc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c15-13-6-1-2-7-14(13)21(18,19)17-11-4-3-5-12(10-11)20-9-8-16/h1-7,10,17H,8-9,16H2
InChIKeyVFPUGTCHGPBTHG-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.48
Rot. Bonds6

About N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide

N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide (PubChem CID 63120987) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
PubChem CID63120987
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
SMILESNCCOc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c15-13-6-1-2-7-14(13)21(18,19)17-11-4-3-5-12(10-11)20-9-8-16/h1-7,10,17H,8-9,16H2
InChIKeyVFPUGTCHGPBTHG-UHFFFAOYSA-N
XLogP2.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
N-[3-(2-phenylethoxy)phenyl]naphthalene-1-sulfonamide
CID 10294593
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide (CID 63120987) is N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide is NCCOc1cccc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide?
The InChIKey is VFPUGTCHGPBTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c15-13-6-1-2-7-14(13)21(18,19)17-11-4-3-5-12(10-11)20-9-8-16/h1-7,10,17H,8-9,16H2.
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide?
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 63120987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).