4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide

C11H19N3O5S2 — CID 106333246

IUPAC4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCNS(C)(=O)=O)ccc1N
InChIInChI=1S/C11H19N3O5S2/c1-19-11-8-9(4-5-10(11)12)21(17,18)14-7-3-6-13-20(2,15)16/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyPGAJSVCBCRCDBM-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.50
Rot. Bonds8

About 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide

4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide (PubChem CID 106333246) has the molecular formula C11H19N3O5S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
PubChem CID106333246
Molecular FormulaC11H19N3O5S2
Molecular Weight337.42 g/mol
Exact Mass337.08
IUPAC Name4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCNS(C)(=O)=O)ccc1N
InChIInChI=1S/C11H19N3O5S2/c1-19-11-8-9(4-5-10(11)12)21(17,18)14-7-3-6-13-20(2,15)16/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyPGAJSVCBCRCDBM-UHFFFAOYSA-N
XLogP-0.50
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide (CID 106333246) is 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCCCNS(C)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide?
The InChIKey is PGAJSVCBCRCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S2/c1-19-11-8-9(4-5-10(11)12)21(17,18)14-7-3-6-13-20(2,15)16/h4-5,8,13-14H,3,6-7,12H2,1-2H3.
What are the key properties of 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide?
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 106333246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).