4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H15BrClNO3S2 — CID 43019357

IUPAC4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15BrClNO3S2/c1-20-7-6-17(10-12-3-2-8-21-12)22(18,19)14-5-4-11(15)9-13(14)16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyMDBFCMVROSBGPQ-UHFFFAOYSA-N
MW424.77 g/mol
LogP4.00
Rot. Bonds7

About 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 43019357) has the molecular formula C14H15BrClNO3S2 and a molecular weight of 424.77 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID43019357
Molecular FormulaC14H15BrClNO3S2
Molecular Weight424.77 g/mol
Exact Mass422.94
IUPAC Name4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H15BrClNO3S2/c1-20-7-6-17(10-12-3-2-8-21-12)22(18,19)14-5-4-11(15)9-13(14)16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyMDBFCMVROSBGPQ-UHFFFAOYSA-N
XLogP4.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61040679
N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 31771604
N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39952752
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755380
2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 43019357) is 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is COCCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MDBFCMVROSBGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3S2/c1-20-7-6-17(10-12-3-2-8-21-12)22(18,19)14-5-4-11(15)9-13(14)16/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 424.77 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43019357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).